2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

C13H16N4 — CID 116796777

IUPAC2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CN(C)c2nccc(N)n2)c1
InChIInChI=1S/C13H16N4/c1-10-4-3-5-11(8-10)9-17(2)13-15-7-6-12(14)16-13/h3-8H,9H2,1-2H3,(H2,14,15,16)
InChIKeyYSGNNMLZNPYAOX-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds3

About 2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 116796777) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID116796777
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CN(C)c2nccc(N)n2)c1
InChIInChI=1S/C13H16N4/c1-10-4-3-5-11(8-10)9-17(2)13-15-7-6-12(14)16-13/h3-8H,9H2,1-2H3,(H2,14,15,16)
InChIKeyYSGNNMLZNPYAOX-UHFFFAOYSA-N
XLogP2.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3-methylphenyl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550218
N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 55154379
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000600
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
2-N-methyl-2-N-[(3-methylphenyl)methyl]-3-nitropyridine-2,6-diamine
CID 80794803
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 61411722
4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80899123
4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62925132
6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine
CID 106947745

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 116796777) is 2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1cccc(CN(C)c2nccc(N)n2)c1.
What is the InChIKey of 2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YSGNNMLZNPYAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-4-3-5-11(8-10)9-17(2)13-15-7-6-12(14)16-13/h3-8H,9H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116796777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).