4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

C21H24N4O3 — CID 112902949

IUPAC4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C21H24N4O3/c1-5-25(16-9-7-6-8-10-16)19-11-12-22-21(24-19)23-15-13-17(26-2)20(28-4)18(14-15)27-3/h6-14H,5H2,1-4H3,(H,22,23,24)
InChIKeyKYQOXXOXWZDYIY-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.40
Rot. Bonds8

About 4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112902949) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112902949
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C21H24N4O3/c1-5-25(16-9-7-6-8-10-16)19-11-12-22-21(24-19)23-15-13-17(26-2)20(28-4)18(14-15)27-3/h6-14H,5H2,1-4H3,(H,22,23,24)
InChIKeyKYQOXXOXWZDYIY-UHFFFAOYSA-N
XLogP4.40
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902093
methyl 3-[[4-(N-ethylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902928
2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902908
ethyl 2-[quinolin-3-yl-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]acetate
CID 20826893
4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112895278
4-N-ethyl-4-N-phenyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112902915
2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902939
methyl 2-[[4-(N-ethylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902927
2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112905325
4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112889343
5-N-benzyl-5-N-ethyl-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112951674
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 112902949) is 4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is CCN(c1ccccc1)c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is KYQOXXOXWZDYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-5-25(16-9-7-6-8-10-16)19-11-12-22-21(24-19)23-15-13-17(26-2)20(28-4)18(14-15)27-3/h6-14H,5H2,1-4H3,(H,22,23,24).
What are the key properties of 4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 380.45 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112902949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).