2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine

C19H28N4 — CID 112868133

IUPAC2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCC(C)C)cc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C19H28N4/c1-12(2)11-20-17-10-18(22-15(6)21-17)23-19-14(5)8-7-9-16(19)13(3)4/h7-10,12-13H,11H2,1-6H3,(H2,20,21,22,23)
InChIKeyFTTFYCXJQYPXLK-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.03
Rot. Bonds6

About 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine

2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 112868133) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID112868133
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCC(C)C)cc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C19H28N4/c1-12(2)11-20-17-10-18(22-15(6)21-17)23-19-14(5)8-7-9-16(19)13(3)4/h7-10,12-13H,11H2,1-6H3,(H2,20,21,22,23)
InChIKeyFTTFYCXJQYPXLK-UHFFFAOYSA-N
XLogP5.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873280
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868124
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925285
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112875066
6-(2-methyl-6-propan-2-ylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340486
5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938601
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504
4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112911418
6-N-(3-methoxypropyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112856928

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 112868133) is 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is Cc1nc(NCC(C)C)cc(Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is FTTFYCXJQYPXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-12(2)11-20-17-10-18(22-15(6)21-17)23-19-14(5)8-7-9-16(19)13(3)4/h7-10,12-13H,11H2,1-6H3,(H2,20,21,22,23).
What are the key properties of 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine?
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 312.46 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112868133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).