4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine

C20H22N4O3 — CID 176550125

IUPAC4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cccc(-c2cc(NCc3ccc(OC)c(OC)c3)nc(N)n2)c1
InChIInChI=1S/C20H22N4O3/c1-25-15-6-4-5-14(10-15)16-11-19(24-20(21)23-16)22-12-13-7-8-17(26-2)18(9-13)27-3/h4-11H,12H2,1-3H3,(H3,21,22,23,24)
InChIKeyYWJXGXQWZQVOOE-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.36
Rot. Bonds7

About 4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine

4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 176550125) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID176550125
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cccc(-c2cc(NCc3ccc(OC)c(OC)c3)nc(N)n2)c1
InChIInChI=1S/C20H22N4O3/c1-25-15-6-4-5-14(10-15)16-11-19(24-20(21)23-16)22-12-13-7-8-17(26-2)18(9-13)27-3/h4-11H,12H2,1-3H3,(H3,21,22,23,24)
InChIKeyYWJXGXQWZQVOOE-UHFFFAOYSA-N
XLogP3.36
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-ethoxyphenyl)pyrimidine-2,4-diamine
CID 155200615
6-N-butyl-4-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112879734
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937591
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895133
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112956351
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
2-N-butan-2-yl-4-N-[(3,4-dimethoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934019
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,6-diamine
CID 80646577
4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75359889

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine (CID 176550125) is 4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine is COc1cccc(-c2cc(NCc3ccc(OC)c(OC)c3)nc(N)n2)c1.
What is the InChIKey of 4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is YWJXGXQWZQVOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-25-15-6-4-5-14(10-15)16-11-19(24-20(21)23-16)22-12-13-7-8-17(26-2)18(9-13)27-3/h4-11H,12H2,1-3H3,(H3,21,22,23,24).
What are the key properties of 4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine?
4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 366.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 176550125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).