N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine

C22H31N5 — CID 95873122

IUPACN-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cn1
InChIInChI=1S/C22H31N5/c1-2-9-23-22-24-15-18(16-25-22)17-26-10-12-27(13-11-26)21-8-7-19-5-3-4-6-20(19)14-21/h3-6,15-16,21H,2,7-14,17H2,1H3,(H,23,24,25)/t21-/m1/s1
InChIKeyQVAXIQGVTWWKAF-OAQYLSRUSA-N
MW365.53 g/mol
LogP2.97
Rot. Bonds6

About N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine

N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 95873122) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
PubChem CID95873122
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC NameN-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cn1
InChIInChI=1S/C22H31N5/c1-2-9-23-22-24-15-18(16-25-22)17-26-10-12-27(13-11-26)21-8-7-19-5-3-4-6-20(19)14-21/h3-6,15-16,21H,2,7-14,17H2,1H3,(H,23,24,25)/t21-/m1/s1
InChIKeyQVAXIQGVTWWKAF-OAQYLSRUSA-N
XLogP2.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 99954441
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99926346
2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol
CID 95868039
3-(2-phenylethyl)-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 29153501
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
5-[[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methyl]-N-propylpyrimidin-2-amine
CID 56866142
5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 95722957
3-(cyclopropylmethyl)-5-[[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45212571
1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane
CID 70752557
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 56870741
N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine
CID 135115146

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine (CID 95873122) is N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine is CCCNc1ncc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cn1.
What is the InChIKey of N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is QVAXIQGVTWWKAF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H31N5/c1-2-9-23-22-24-15-18(16-25-22)17-26-10-12-27(13-11-26)21-8-7-19-5-3-4-6-20(19)14-21/h3-6,15-16,21H,2,7-14,17H2,1H3,(H,23,24,25)/t21-/m1/s1.
What are the key properties of N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine?
N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 365.53 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 95873122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).