2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine

C15H20N4 — CID 112881992

IUPAC2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1ccccc1CNc1nccc(NC(C)C)n1
InChIInChI=1S/C15H20N4/c1-11(2)18-14-8-9-16-15(19-14)17-10-13-7-5-4-6-12(13)3/h4-9,11H,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyVAKPYNJYASCLCF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds5

About 2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112881992) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112881992
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1ccccc1CNc1nccc(NC(C)C)n1
InChIInChI=1S/C15H20N4/c1-11(2)18-14-8-9-16-15(19-14)17-10-13-7-5-4-6-12(13)3/h4-9,11H,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyVAKPYNJYASCLCF-UHFFFAOYSA-N
XLogP3.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883490
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
4-N-[(2-methylphenyl)methyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112889699
2-N-butyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883006
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889963
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
2-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801501
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
2-N-(4-bromophenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889782
4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889893
4-(azepan-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889908

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112881992) is 2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1ccccc1CNc1nccc(NC(C)C)n1.
What is the InChIKey of 2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is VAKPYNJYASCLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(2)18-14-8-9-16-15(19-14)17-10-13-7-5-4-6-12(13)3/h4-9,11H,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).