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

C18H22N6 — CID 152578272

IUPAC2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
SMILESCC(CC(C)(C)N)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H22N6/c1-12(10-18(2,3)19)22-17-14-6-9-21-11-15(14)23-16(24-17)13-4-7-20-8-5-13/h4-9,11-12H,10,19H2,1-3H3,(H,22,23,24)
InChIKeyYSXUPBSDPJABHI-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.01
Rot. Bonds5

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

2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine (PubChem CID 152578272) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
PubChem CID152578272
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
SMILESCC(CC(C)(C)N)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H22N6/c1-12(10-18(2,3)19)22-17-14-6-9-21-11-15(14)23-16(24-17)13-4-7-20-8-5-13/h4-9,11-12H,10,19H2,1-3H3,(H,22,23,24)
InChIKeyYSXUPBSDPJABHI-UHFFFAOYSA-N
XLogP3.01
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine?
The IUPAC name of 2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine (CID 152578272) is 2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine?
The canonical SMILES for 2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine is CC(CC(C)(C)N)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine?
The InChIKey is YSXUPBSDPJABHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-12(10-18(2,3)19)22-17-14-6-9-21-11-15(14)23-16(24-17)13-4-7-20-8-5-13/h4-9,11-12H,10,19H2,1-3H3,(H,22,23,24).
What are the key properties of 2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine?
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine has a molecular weight of 322.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine is sourced from PubChem (CID 152578272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).