6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine

C17H22N6 — CID 154568338

IUPAC6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1ccc2ncnc(NCCCn3ccnc3C(C)C)c2n1
InChIInChI=1S/C17H22N6/c1-12(2)17-19-8-10-23(17)9-4-7-18-16-15-14(20-11-21-16)6-5-13(3)22-15/h5-6,8,10-12H,4,7,9H2,1-3H3,(H,18,20,21)
InChIKeyVAYFUTLXBREZQH-UHFFFAOYSA-N
MW310.41 g/mol
LogP3.16
Rot. Bonds6

About 6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine

6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 154568338) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID154568338
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1ccc2ncnc(NCCCn3ccnc3C(C)C)c2n1
InChIInChI=1S/C17H22N6/c1-12(2)17-19-8-10-23(17)9-4-7-18-16-15-14(20-11-21-16)6-5-13(3)22-15/h5-6,8,10-12H,4,7,9H2,1-3H3,(H,18,20,21)
InChIKeyVAYFUTLXBREZQH-UHFFFAOYSA-N
XLogP3.16
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine (CID 154568338) is 6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine is Cc1ccc2ncnc(NCCCn3ccnc3C(C)C)c2n1.
What is the InChIKey of 6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is VAYFUTLXBREZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-12(2)17-19-8-10-23(17)9-4-7-18-16-15-14(20-11-21-16)6-5-13(3)22-15/h5-6,8,10-12H,4,7,9H2,1-3H3,(H,18,20,21).
What are the key properties of 6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine?
6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 310.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 154568338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).