4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C13H19ClN4 — CID 117100947

IUPAC4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESClc1nc(NCC2CCCC2)nc2c1CCNC2
InChIInChI=1S/C13H19ClN4/c14-12-10-5-6-15-8-11(10)17-13(18-12)16-7-9-3-1-2-4-9/h9,15H,1-8H2,(H,16,17,18)
InChIKeyTWJXHCPTPQTUDV-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.38
Rot. Bonds3

About 4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 117100947) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID117100947
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESClc1nc(NCC2CCCC2)nc2c1CCNC2
InChIInChI=1S/C13H19ClN4/c14-12-10-5-6-15-8-11(10)17-13(18-12)16-7-9-3-1-2-4-9/h9,15H,1-8H2,(H,16,17,18)
InChIKeyTWJXHCPTPQTUDV-UHFFFAOYSA-N
XLogP2.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101131
N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101139
4-chloro-N-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100800
4-chloro-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101118
N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-c]pyridazin-3-amine
CID 117104569
N-(cyclobutylmethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145300
N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101707
4-chloro-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115045658
2-(azetidin-1-yl)-4-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117100826
2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23290172
N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102200
6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 90159113

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 117100947) is 4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is Clc1nc(NCC2CCCC2)nc2c1CCNC2.
What is the InChIKey of 4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is TWJXHCPTPQTUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-12-10-5-6-15-8-11(10)17-13(18-12)16-7-9-3-1-2-4-9/h9,15H,1-8H2,(H,16,17,18).
What are the key properties of 4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 266.78 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 117100947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).