6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine

C18H20N4O — CID 11996838

IUPAC6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3c2)cc1C
InChIInChI=1S/C18H20N4O/c1-10(2)23-17-15-8-14(9-20-16(15)21-18(19)22-17)13-6-5-11(3)12(4)7-13/h5-10H,1-4H3,(H2,19,20,21,22)
InChIKeyNWKBCOGQIFRAOD-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.68
Rot. Bonds3

About 6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine

6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine (PubChem CID 11996838) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine
PubChem CID11996838
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3c2)cc1C
InChIInChI=1S/C18H20N4O/c1-10(2)23-17-15-8-14(9-20-16(15)21-18(19)22-17)13-6-5-11(3)12(4)7-13/h5-10H,1-4H3,(H2,19,20,21,22)
InChIKeyNWKBCOGQIFRAOD-UHFFFAOYSA-N
XLogP3.68
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine (CID 11996838) is 6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine is Cc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3c2)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is NWKBCOGQIFRAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-10(2)23-17-15-8-14(9-20-16(15)21-18(19)22-17)13-6-5-11(3)12(4)7-13/h5-10H,1-4H3,(H2,19,20,21,22).
What are the key properties of 6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine?
6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 308.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11996838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).