2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine

C13H13ClN4S — CID 54020672

IUPAC2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
SMILESClc1nc2c(c(NCc3cccnc3)n1)CSCC2
InChIInChI=1S/C13H13ClN4S/c14-13-17-11-3-5-19-8-10(11)12(18-13)16-7-9-2-1-4-15-6-9/h1-2,4,6H,3,5,7-8H2,(H,16,17,18)
InChIKeyKYRXSYIXVPOSBH-UHFFFAOYSA-N
MW292.79 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine

2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine (PubChem CID 54020672) has the molecular formula C13H13ClN4S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
PubChem CID54020672
Molecular FormulaC13H13ClN4S
Molecular Weight292.79 g/mol
Exact Mass292.05
IUPAC Name2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
SMILESClc1nc2c(c(NCc3cccnc3)n1)CSCC2
InChIInChI=1S/C13H13ClN4S/c14-13-17-11-3-5-19-8-10(11)12(18-13)16-7-9-2-1-4-15-6-9/h1-2,4,6H,3,5,7-8H2,(H,16,17,18)
InChIKeyKYRXSYIXVPOSBH-UHFFFAOYSA-N
XLogP2.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 114043542
2-chloro-N-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82460692
4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 783137
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 87529176
6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773543
N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189907
N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191494
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
CID 70165419

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine (CID 54020672) is 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine is Clc1nc2c(c(NCc3cccnc3)n1)CSCC2.
What is the InChIKey of 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is KYRXSYIXVPOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c14-13-17-11-3-5-19-8-10(11)12(18-13)16-7-9-2-1-4-15-6-9/h1-2,4,6H,3,5,7-8H2,(H,16,17,18).
What are the key properties of 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine?
2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 292.79 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54020672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).