2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine

C16H22N4 — CID 112900151

IUPAC2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCC(C)CCNc1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-13(2)9-11-17-15-10-12-18-16(19-15)20(3)14-7-5-4-6-8-14/h4-8,10,12-13H,9,11H2,1-3H3,(H,17,18,19)
InChIKeyVDORXGJOCUJRFE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.70
Rot. Bonds6

About 2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine

2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112900151) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112900151
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCC(C)CCNc1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-13(2)9-11-17-15-10-12-18-16(19-15)20(3)14-7-5-4-6-8-14/h4-8,10,12-13H,9,11H2,1-3H3,(H,17,18,19)
InChIKeyVDORXGJOCUJRFE-UHFFFAOYSA-N
XLogP3.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112887032
4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902126
6-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylhexanoic acid
CID 64830641
2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883165
2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112902142
4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902119
2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112900250
2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112893961
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112882404
2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine
CID 64831051
4-N-ethyl-6-N-(3-methylbutyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112864003
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine (CID 112900151) is 2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine is CC(C)CCNc1ccnc(N(C)c2ccccc2)n1.
What is the InChIKey of 2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is VDORXGJOCUJRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(2)9-11-17-15-10-12-18-16(19-15)20(3)14-7-5-4-6-8-14/h4-8,10,12-13H,9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine?
2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112900151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).