2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile

C16H20N6 — CID 170187768

IUPAC2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
SMILESCC1CC(Nc2ncc3cc(C#N)nc(NC(C)C)c3n2)C1
InChIInChI=1S/C16H20N6/c1-9(2)19-15-14-11(6-13(7-17)20-15)8-18-16(22-14)21-12-4-10(3)5-12/h6,8-10,12H,4-5H2,1-3H3,(H,19,20)(H,18,21,22)
InChIKeyCWJITOGYZJMOHU-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.93
Rot. Bonds4

About 2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile

2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile (PubChem CID 170187768) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
PubChem CID170187768
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile
SMILESCC1CC(Nc2ncc3cc(C#N)nc(NC(C)C)c3n2)C1
InChIInChI=1S/C16H20N6/c1-9(2)19-15-14-11(6-13(7-17)20-15)8-18-16(22-14)21-12-4-10(3)5-12/h6,8-10,12H,4-5H2,1-3H3,(H,19,20)(H,18,21,22)
InChIKeyCWJITOGYZJMOHU-UHFFFAOYSA-N
XLogP2.93
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile (CID 170187768) is 2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile is CC1CC(Nc2ncc3cc(C#N)nc(NC(C)C)c3n2)C1.
What is the InChIKey of 2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
The InChIKey is CWJITOGYZJMOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-9(2)19-15-14-11(6-13(7-17)20-15)8-18-16(22-14)21-12-4-10(3)5-12/h6,8-10,12H,4-5H2,1-3H3,(H,19,20)(H,18,21,22).
What are the key properties of 2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile?
2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile has a molecular weight of 296.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclobutyl)amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 170187768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).