2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

C12H19N5 — CID 117101008

IUPAC2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NC2CCCC2)nc2c1CNCC2
InChIInChI=1S/C12H19N5/c13-11-9-7-14-6-5-10(9)16-12(17-11)15-8-3-1-2-4-8/h8,14H,1-7H2,(H3,13,15,16,17)
InChIKeyQDDPNMMNQQCOHF-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.06
Rot. Bonds2

About 2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 117101008) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID117101008
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NC2CCCC2)nc2c1CNCC2
InChIInChI=1S/C12H19N5/c13-11-9-7-14-6-5-10(9)16-12(17-11)15-8-3-1-2-4-8/h8,14H,1-7H2,(H3,13,15,16,17)
InChIKeyQDDPNMMNQQCOHF-UHFFFAOYSA-N
XLogP1.06
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101131
N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 105475959
N-cyclopentyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105491814
4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 66902953
2-N-(4-bromophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101061
N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 105494802
2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101112
4-methyl-N-piperidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 82192049
2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743097
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
4,6-diamino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 3081364
4-amino-2-(cyclohexylamino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 66507778

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (CID 117101008) is 2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is Nc1nc(NC2CCCC2)nc2c1CNCC2.
What is the InChIKey of 2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is QDDPNMMNQQCOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-11-9-7-14-6-5-10(9)16-12(17-11)15-8-3-1-2-4-8/h8,14H,1-7H2,(H3,13,15,16,17).
What are the key properties of 2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 117101008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).