2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine

C32H30N4O2 — CID 22061060

IUPAC2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(-c2ccccc2)c(C)cc1Nc1ccnc(Nc2cc(C)c(-c3ccccc3)cc2OC)n1
InChIInChI=1S/C32H30N4O2/c1-21-17-27(29(37-3)19-25(21)23-11-7-5-8-12-23)34-31-15-16-33-32(36-31)35-28-18-22(2)26(20-30(28)38-4)24-13-9-6-10-14-24/h5-20H,1-4H3,(H2,33,34,35,36)
InChIKeyLTIUHSQQSNQJIH-UHFFFAOYSA-N
MW502.62 g/mol
LogP7.93
Rot. Bonds8

About 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine

2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine (PubChem CID 22061060) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine
PubChem CID22061060
Molecular FormulaC32H30N4O2
Molecular Weight502.62 g/mol
Exact Mass502.24
IUPAC Name2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(-c2ccccc2)c(C)cc1Nc1ccnc(Nc2cc(C)c(-c3ccccc3)cc2OC)n1
InChIInChI=1S/C32H30N4O2/c1-21-17-27(29(37-3)19-25(21)23-11-7-5-8-12-23)34-31-15-16-33-32(36-31)35-28-18-22(2)26(20-30(28)38-4)24-13-9-6-10-14-24/h5-20H,1-4H3,(H2,33,34,35,36)
InChIKeyLTIUHSQQSNQJIH-UHFFFAOYSA-N
XLogP7.93
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine (CID 22061060) is 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine is COc1cc(-c2ccccc2)c(C)cc1Nc1ccnc(Nc2cc(C)c(-c3ccccc3)cc2OC)n1.
What is the InChIKey of 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LTIUHSQQSNQJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c1-21-17-27(29(37-3)19-25(21)23-11-7-5-8-12-23)34-31-15-16-33-32(36-31)35-28-18-22(2)26(20-30(28)38-4)24-13-9-6-10-14-24/h5-20H,1-4H3,(H2,33,34,35,36).
What are the key properties of 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine?
2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine has a molecular weight of 502.62 g/mol, XLogP of 7.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-methoxy-5-methyl-4-phenylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 22061060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).