2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

C19H20N4O2 — CID 910857

IUPAC2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(C)nc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-13-12-18(21-14-4-8-16(24-2)9-5-14)23-19(20-13)22-15-6-10-17(25-3)11-7-15/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyCXZBMPDUEFPIPW-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.29
Rot. Bonds6

About 2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 910857) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID910857
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(C)nc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-13-12-18(21-14-4-8-16(24-2)9-5-14)23-19(20-13)22-15-6-10-17(25-3)11-7-15/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyCXZBMPDUEFPIPW-UHFFFAOYSA-N
XLogP4.29
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.29
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)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 910857) is 2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(Nc2cc(C)nc(Nc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is CXZBMPDUEFPIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-12-18(21-14-4-8-16(24-2)9-5-14)23-19(20-13)22-15-6-10-17(25-3)11-7-15/h4-12H,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
2-N,4-N-bis(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 336.40 g/mol, XLogP of 4.29, 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)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 910857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).