2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

C17H24N4 — CID 112889740

IUPAC2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCCN(C)c1nccc(NCc2ccccc2C)n1
InChIInChI=1S/C17H24N4/c1-4-5-12-21(3)17-18-11-10-16(20-17)19-13-15-9-7-6-8-14(15)2/h6-11H,4-5,12-13H2,1-3H3,(H,18,19,20)
InChIKeyNZYZNCDKJOXIGA-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.63
Rot. Bonds7

About 2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112889740) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112889740
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCCN(C)c1nccc(NCc2ccccc2C)n1
InChIInChI=1S/C17H24N4/c1-4-5-12-21(3)17-18-11-10-16(20-17)19-13-15-9-7-6-8-14(15)2/h6-11H,4-5,12-13H2,1-3H3,(H,18,19,20)
InChIKeyNZYZNCDKJOXIGA-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304081
2-N-butyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883006
2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899258
2-N-benzyl-2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889696
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112915803
2-N-butyl-4-N-[2-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 112900678
4-N-[(2-methylphenyl)methyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112889699
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
4-N-benzyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889417
2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112915169
4-N-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 50983388

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112889740) is 2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is CCCCN(C)c1nccc(NCc2ccccc2C)n1.
What is the InChIKey of 2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NZYZNCDKJOXIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-5-12-21(3)17-18-11-10-16(20-17)19-13-15-9-7-6-8-14(15)2/h6-11H,4-5,12-13H2,1-3H3,(H,18,19,20).
What are the key properties of 2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112889740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).