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

C12H19N5 — CID 117101131

IUPAC2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NCC2CCC2)nc2c1CNCC2
InChIInChI=1S/C12H19N5/c13-11-9-7-14-5-4-10(9)16-12(17-11)15-6-8-2-1-3-8/h8,14H,1-7H2,(H3,13,15,16,17)
InChIKeyFEEJRCXMLBXLAF-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.92
Rot. Bonds3

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

2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 117101131) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID117101131
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NCC2CCC2)nc2c1CNCC2
InChIInChI=1S/C12H19N5/c13-11-9-7-14-5-4-10(9)16-12(17-11)15-6-8-2-1-3-8/h8,14H,1-7H2,(H3,13,15,16,17)
InChIKeyFEEJRCXMLBXLAF-UHFFFAOYSA-N
XLogP0.92
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101139
2-N-cyclopentyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101008
4-chloro-N-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100947
N-(cyclobutylmethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145300
4-chloro-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101118
2-N-(4-bromophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101061
2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23290172
4-(4-fluorophenyl)sulfanyl-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 142737276
4-amino-2-(cyclohexylmethylamino)-7-(oxan-4-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58497556
2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117101029
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
N-cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 105475959

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (CID 117101131) is 2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is Nc1nc(NCC2CCC2)nc2c1CNCC2.
What is the InChIKey of 2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is FEEJRCXMLBXLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-11-9-7-14-5-4-10(9)16-12(17-11)15-6-8-2-1-3-8/h8,14H,1-7H2,(H3,13,15,16,17).
What are the key properties of 2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 233.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 117101131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).