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

C19H28N4 — CID 112876263

IUPAC2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2ccccc2C(C)C)nc(C)n1
InChIInChI=1S/C19H28N4/c1-5-6-9-12-20-18-13-19(22-15(4)21-18)23-17-11-8-7-10-16(17)14(2)3/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3,(H2,20,21,22,23)
InChIKeyVGQDCCCGYUJEKD-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.25
Rot. Bonds8

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

2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112876263) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112876263
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2ccccc2C(C)C)nc(C)n1
InChIInChI=1S/C19H28N4/c1-5-6-9-12-20-18-13-19(22-15(4)21-18)23-17-11-8-7-10-16(17)14(2)3/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3,(H2,20,21,22,23)
InChIKeyVGQDCCCGYUJEKD-UHFFFAOYSA-N
XLogP5.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112870599
6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112864112
2-[[2-methyl-6-(pentylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112876333
2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
CID 112876247
N-pentyl-2-propan-2-ylaniline
CID 29268175
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245
6-N-butyl-2-methyl-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112868003
2-methyl-6-N-(oxolan-2-ylmethyl)-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112870088
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
2-N-ethyl-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80759675
6-N-(2-methoxyethyl)-2-phenyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112880306
N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109373430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 112876263) is 2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is CCCCCNc1cc(Nc2ccccc2C(C)C)nc(C)n1.
What is the InChIKey of 2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is VGQDCCCGYUJEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-5-6-9-12-20-18-13-19(22-15(4)21-18)23-17-11-8-7-10-16(17)14(2)3/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 312.46 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112876263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).