2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

C16H22N4 — CID 112883165

IUPAC2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1ccnc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-13(2)11-18-15-9-10-17-16(19-15)20(3)12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,17,18,19)
InChIKeyRFBAJLOKZJLSPK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.18
Rot. Bonds6

About 2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 112883165) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID112883165
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1ccnc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-13(2)11-18-15-9-10-17-16(19-15)20(3)12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,17,18,19)
InChIKeyRFBAJLOKZJLSPK-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
CID 112884136
2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 112891064
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112893961
2-N-benzyl-2-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891033
2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112891014
4-(2-methylpropylamino)pyrimidin-2-olate
CID 171083586
N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296718
4-N-benzyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889417
3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949416
2-N-methyl-4-N-(3-methylbutyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112900151
2-N-butyl-2-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899258

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 112883165) is 2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CNc1ccnc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is RFBAJLOKZJLSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(2)11-18-15-9-10-17-16(19-15)20(3)12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,17,18,19).
What are the key properties of 2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).