N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine

C19H26N4OS — CID 135115146

IUPACN-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCC3(CC2)OCCc2ccsc23)cn1
InChIInChI=1S/C19H26N4OS/c1-2-7-20-18-21-12-15(13-22-18)14-23-8-5-19(6-9-23)17-16(3-10-24-19)4-11-25-17/h4,11-13H,2-3,5-10,14H2,1H3,(H,20,21,22)
InChIKeyBXQJTPCYGZUTFH-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.42
Rot. Bonds5

About N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine

N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine (PubChem CID 135115146) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine
PubChem CID135115146
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCC3(CC2)OCCc2ccsc23)cn1
InChIInChI=1S/C19H26N4OS/c1-2-7-20-18-21-12-15(13-22-18)14-23-8-5-19(6-9-23)17-16(3-10-24-19)4-11-25-17/h4,11-13H,2-3,5-10,14H2,1H3,(H,20,21,22)
InChIKeyBXQJTPCYGZUTFH-UHFFFAOYSA-N
XLogP3.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163310489
1'-(cyclopropylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 172905950
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
1'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 154862464
1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163310687
1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 135118729
1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 135094594
N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 95873122
N-propan-2-yl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-sulfonamide
CID 139010678
cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 127770868
6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
CID 135112113
2-[2-(dimethylamino)ethyl]-9-[[2-(propylamino)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72839569

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine (CID 135115146) is N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine is CCCNc1ncc(CN2CCC3(CC2)OCCc2ccsc23)cn1.
What is the InChIKey of N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine?
The InChIKey is BXQJTPCYGZUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-2-7-20-18-21-12-15(13-22-18)14-23-8-5-19(6-9-23)17-16(3-10-24-19)4-11-25-17/h4,11-13H,2-3,5-10,14H2,1H3,(H,20,21,22).
What are the key properties of N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine?
N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine has a molecular weight of 358.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 135115146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).