N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine

C25H34N6O — CID 163374772

IUPACN,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine
SMILESCN(C)C1CN(c2nc3c(c(N4CCNCC4)n2)CCC2(CCCc4ccccc42)O3)C1
InChIInChI=1S/C25H34N6O/c1-29(2)19-16-31(17-19)24-27-22(30-14-12-26-13-15-30)20-9-11-25(32-23(20)28-24)10-5-7-18-6-3-4-8-21(18)25/h3-4,6,8,19,26H,5,7,9-17H2,1-2H3
InChIKeyUFFSPJYLUCVHOZ-UHFFFAOYSA-N
MW434.59 g/mol
LogP2.19
Rot. Bonds3

About N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine

N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine (PubChem CID 163374772) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine
PubChem CID163374772
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC NameN,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine
SMILESCN(C)C1CN(c2nc3c(c(N4CCNCC4)n2)CCC2(CCCc4ccccc42)O3)C1
InChIInChI=1S/C25H34N6O/c1-29(2)19-16-31(17-19)24-27-22(30-14-12-26-13-15-30)20-9-11-25(32-23(20)28-24)10-5-7-18-6-3-4-8-21(18)25/h3-4,6,8,19,26H,5,7,9-17H2,1-2H3
InChIKeyUFFSPJYLUCVHOZ-UHFFFAOYSA-N
XLogP2.19
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine with MolForge

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Related Compounds

acetonitrile;4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carbonitrile
CID 163374829
(2S)-2-(cyanomethyl)-4-[2'-[3-(dimethylamino)azetidin-1-yl]spiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-4'-yl]piperazine-1-carboxylic acid
CID 174225809
2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]
CID 163374747
acetonitrile;2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]
CID 163374746
5-methyl-4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-carboxylic acid
CID 163374795
acetonitrile;ethane;2'-methoxy-1-methyl-4'-piperazin-1-ylspiro[1,2-dihydroindene-3,7'-5,6-dihydropyrano[2,3-d]pyrimidine];1-methylpyrrolidine
CID 163374775
1-[4-[2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-4'-yl]piperazin-1-yl]prop-2-en-1-one
CID 163374840
acetonitrile;1-[4-(2'-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-4'-yl)piperazin-1-yl]prop-2-en-1-one;1-methylpyrrolidine
CID 163374786
(3S)-3-methyl-4-[2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-4'-yl]piperazine-1-carboxylic acid
CID 174225815
2-[(2S)-4-[2'-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 171430074
benzyl (2S)-2-(cyanomethyl)-4-(2'-cyanospiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-4'-yl)piperazine-1-carboxylate
CID 171430073
2-[(2S)-4-[(4S)-2'-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-4'-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 171904196

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine?
The IUPAC name of N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine (CID 163374772) is N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine is CN(C)C1CN(c2nc3c(c(N4CCNCC4)n2)CCC2(CCCc4ccccc42)O3)C1.
What is the InChIKey of N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine?
The InChIKey is UFFSPJYLUCVHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-29(2)19-16-31(17-19)24-27-22(30-14-12-26-13-15-30)20-9-11-25(32-23(20)28-24)10-5-7-18-6-3-4-8-21(18)25/h3-4,6,8,19,26H,5,7,9-17H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine?
N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine has a molecular weight of 434.59 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4'-piperazin-1-ylspiro[2,3-dihydro-1H-naphthalene-4,7'-5,6-dihydropyrano[2,3-d]pyrimidine]-2'-yl)azetidin-3-amine is sourced from PubChem (CID 163374772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).