2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine

C14H18N6 — CID 144567777

IUPAC2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine
SMILES[H]/N=C1\CCCC[C@H]1Nc1ncc2c(N)ncc(C)c2n1
InChIInChI=1S/C14H18N6/c1-8-6-17-13(16)9-7-18-14(20-12(8)9)19-11-5-3-2-4-10(11)15/h6-7,11,15H,2-5H2,1H3,(H2,16,17)(H,18,19,20)/b15-10+/t11-/m1/s1
InChIKeyXYLNCDLRTDYJSG-HGLKBHAMSA-N
MW270.34 g/mol
LogP2.29
Rot. Bonds2

About 2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine

2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine (PubChem CID 144567777) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine
PubChem CID144567777
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine
SMILES[H]/N=C1\CCCC[C@H]1Nc1ncc2c(N)ncc(C)c2n1
InChIInChI=1S/C14H18N6/c1-8-6-17-13(16)9-7-18-14(20-12(8)9)19-11-5-3-2-4-10(11)15/h6-7,11,15H,2-5H2,1H3,(H2,16,17)(H,18,19,20)/b15-10+/t11-/m1/s1
InChIKeyXYLNCDLRTDYJSG-HGLKBHAMSA-N
XLogP2.29
TPSA100.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine (CID 144567777) is 2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine is [H]/N=C1\CCCC[C@H]1Nc1ncc2c(N)ncc(C)c2n1.
What is the InChIKey of 2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine?
The InChIKey is XYLNCDLRTDYJSG-HGLKBHAMSA-N. The full InChI is InChI=1S/C14H18N6/c1-8-6-17-13(16)9-7-18-14(20-12(8)9)19-11-5-3-2-4-10(11)15/h6-7,11,15H,2-5H2,1H3,(H2,16,17)(H,18,19,20)/b15-10+/t11-/m1/s1.
What are the key properties of 2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine?
2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R)-2-iminocyclohexyl]-8-methylpyrido[4,3-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 144567777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).