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

C19H20N4O2 — CID 667917

IUPAC2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1cc(C)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C19H20N4O2/c1-13-12-18(21-14-8-4-6-10-16(14)24-2)23-19(20-13)22-15-9-5-7-11-17(15)25-3/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyIUDCWQLXXBQWQP-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.29
Rot. Bonds6

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

2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 667917) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID667917
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1cc(C)nc(Nc2ccccc2OC)n1
InChIInChI=1S/C19H20N4O2/c1-13-12-18(21-14-8-4-6-10-16(14)24-2)23-19(20-13)22-15-9-5-7-11-17(15)25-3/h4-12H,1-3H3,(H2,20,21,22,23)
InChIKeyIUDCWQLXXBQWQP-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(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 667917) is 2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccccc1Nc1cc(C)nc(Nc2ccccc2OC)n1.
What is the InChIKey of 2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is IUDCWQLXXBQWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-12-18(21-14-8-4-6-10-16(14)24-2)23-19(20-13)22-15-9-5-7-11-17(15)25-3/h4-12H,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N,4-N-bis(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
2-N,4-N-bis(2-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(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 667917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).