6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

C20H22N4O2 — CID 112866173

IUPAC6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3ccccc3OC(C)C)ncn2)c1
InChIInChI=1S/C20H22N4O2/c1-14(2)26-18-10-5-4-9-17(18)24-20-12-19(21-13-22-20)23-15-7-6-8-16(11-15)25-3/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyJKHHTJXNLUGYRW-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.76
Rot. Bonds7

About 6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112866173) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
PubChem CID112866173
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3ccccc3OC(C)C)ncn2)c1
InChIInChI=1S/C20H22N4O2/c1-14(2)26-18-10-5-4-9-17(18)24-20-12-19(21-13-22-20)23-15-7-6-8-16(11-15)25-3/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyJKHHTJXNLUGYRW-UHFFFAOYSA-N
XLogP4.76
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878334
4-N-(3-methoxyphenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904627
6-N-(4-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878388
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878564
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(3-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358189
6-N-[(2-methylphenyl)methyl]-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112858971
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193145
2-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]ethanol
CID 53259803
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987238
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (CID 112866173) is 6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is COc1cccc(Nc2cc(Nc3ccccc3OC(C)C)ncn2)c1.
What is the InChIKey of 6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is JKHHTJXNLUGYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(2)26-18-10-5-4-9-17(18)24-20-12-19(21-13-22-20)23-15-7-6-8-16(11-15)25-3/h4-14H,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 350.42 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112866173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).