2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine

C18H18N4O2 — CID 850367

IUPAC2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-23-15-7-3-13(4-8-15)20-17-11-12-19-18(22-17)21-14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H2,19,20,21,22)
InChIKeyCZZKMTODGZXDCD-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.98
Rot. Bonds6

About 2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine

2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 850367) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID850367
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-23-15-7-3-13(4-8-15)20-17-11-12-19-18(22-17)21-14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H2,19,20,21,22)
InChIKeyCZZKMTODGZXDCD-UHFFFAOYSA-N
XLogP3.98
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.98
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(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 850367) is 2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2ccnc(Nc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is CZZKMTODGZXDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-15-7-3-13(4-8-15)20-17-11-12-19-18(22-17)21-14-5-9-16(24-2)10-6-14/h3-12H,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine?
2-N,4-N-bis(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 322.37 g/mol, XLogP of 3.98, 6 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(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 850367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).