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

C16H22N4 — CID 112900569

IUPAC4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCCCCN(C)c1ccnc(Nc2ccccc2C)n1
InChIInChI=1S/C16H22N4/c1-4-5-12-20(3)15-10-11-17-16(19-15)18-14-9-7-6-8-13(14)2/h6-11H,4-5,12H2,1-3H3,(H,17,18,19)
InChIKeyAWDDQAJYYSKZNX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.76
Rot. Bonds6

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

4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112900569) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112900569
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCCCCN(C)c1ccnc(Nc2ccccc2C)n1
InChIInChI=1S/C16H22N4/c1-4-5-12-20(3)15-10-11-17-16(19-15)18-14-9-7-6-8-13(14)2/h6-11H,4-5,12H2,1-3H3,(H,17,18,19)
InChIKeyAWDDQAJYYSKZNX-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5587
Rilpivirine
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Tripelennamine Hydrochloride
CID 9066
Dapivirine
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Amprolium Hydrochloride
CID 8732
Quinazoline
CID 9210
4-Aminoquinazoline
CID 84759
2-(Benzylamino)pyridine
CID 23362
Amprolium
CID 73341
Msx-122
CID 11687907
Rilpivirine Hydrochloride
CID 11711114
4-Phenylpyrimidine
CID 18923

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine (CID 112900569) is 4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine is CCCCN(C)c1ccnc(Nc2ccccc2C)n1.
What is the InChIKey of 4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is AWDDQAJYYSKZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-5-12-20(3)15-10-11-17-16(19-15)18-14-9-7-6-8-13(14)2/h6-11H,4-5,12H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine?
4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112900569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).