2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine

C16H18N6 — CID 118715599

IUPAC2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(C)(N)CNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C16H18N6/c1-16(2,17)10-20-15-12-5-8-19-9-13(12)21-14(22-15)11-3-6-18-7-4-11/h3-9H,10,17H2,1-2H3,(H,20,21,22)
InChIKeyKSKYRXFKNPXFGI-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine

2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 118715599) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID118715599
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(C)(N)CNc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C16H18N6/c1-16(2,17)10-20-15-12-5-8-19-9-13(12)21-14(22-15)11-3-6-18-7-4-11/h3-9H,10,17H2,1-2H3,(H,20,21,22)
InChIKeyKSKYRXFKNPXFGI-UHFFFAOYSA-N
XLogP2.24
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine (CID 118715599) is 2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is CC(C)(N)CNc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is KSKYRXFKNPXFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-16(2,17)10-20-15-12-5-8-19-9-13(12)21-14(22-15)11-3-6-18-7-4-11/h3-9H,10,17H2,1-2H3,(H,20,21,22).
What are the key properties of 2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine?
2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 294.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 118715599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).