6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C20H22N4O — CID 112926836

IUPAC6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C20H22N4O/c1-14(2)25-18-12-8-7-11-17(18)23-20-21-15(3)13-19(24-20)22-16-9-5-4-6-10-16/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyCHNZNIBTMVQWKF-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.06
Rot. Bonds6

About 6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112926836) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID112926836
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C20H22N4O/c1-14(2)25-18-12-8-7-11-17(18)23-20-21-15(3)13-19(24-20)22-16-9-5-4-6-10-16/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyCHNZNIBTMVQWKF-UHFFFAOYSA-N
XLogP5.06
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 112926836) is 6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2)nc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is CHNZNIBTMVQWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(2)25-18-12-8-7-11-17(18)23-20-21-15(3)13-19(24-20)22-16-9-5-4-6-10-16/h4-14H,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 334.42 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112926836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).