2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine

C22H26N4O — CID 112876216

IUPAC2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-16(2)13-14-23-21-15-22(25-17(3)24-21)26-19-11-7-8-12-20(19)27-18-9-5-4-6-10-18/h4-12,15-16H,13-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyJRMONOQLCBRXKJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.78
Rot. Bonds8

About 2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine

2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112876216) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112876216
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCC(C)C)cc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-16(2)13-14-23-21-15-22(25-17(3)24-21)26-19-11-7-8-12-20(19)27-18-9-5-4-6-10-18/h4-12,15-16H,13-14H2,1-3H3,(H2,23,24,25,26)
InChIKeyJRMONOQLCBRXKJ-UHFFFAOYSA-N
XLogP5.78
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-butyl-2-methyl-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112868003
2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 112846570
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876148
3-[[2-methyl-6-(2-phenoxyanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112879076
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112870627
4-N-(2-methoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864024
6-methyl-4-N-(3-methylbutyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112925219
6-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112874066
4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112875858
N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109365314
4-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112875821
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112869302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine (CID 112876216) is 2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine is Cc1nc(NCCC(C)C)cc(Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is JRMONOQLCBRXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16(2)13-14-23-21-15-22(25-17(3)24-21)26-19-11-7-8-12-20(19)27-18-9-5-4-6-10-18/h4-12,15-16H,13-14H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine?
2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 362.48 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112876216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).