4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine

C14H18N4 — CID 107541695

IUPAC4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCCN(c1cccc(C)c1)c1nccc(CN)n1
InChIInChI=1S/C14H18N4/c1-3-18(13-6-4-5-11(2)9-13)14-16-8-7-12(10-15)17-14/h4-9H,3,10,15H2,1-2H3
InChIKeySGMXCXCNPAEOAZ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.40
Rot. Bonds4

About 4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine

4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 107541695) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID107541695
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCCN(c1cccc(C)c1)c1nccc(CN)n1
InChIInChI=1S/C14H18N4/c1-3-18(13-6-4-5-11(2)9-13)14-16-8-7-12(10-15)17-14/h4-9H,3,10,15H2,1-2H3
InChIKeySGMXCXCNPAEOAZ-UHFFFAOYSA-N
XLogP2.40
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61076372
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
2-(N-ethyl-3-methylanilino)pyrimidine-5-carbaldehyde
CID 113387632
3-(aminomethyl)-N-ethyl-2,6-dimethyl-N-(3-methylphenyl)pyridin-4-amine
CID 81050456
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312422
4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112904861

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine (CID 107541695) is 4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine is CCN(c1cccc(C)c1)c1nccc(CN)n1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is SGMXCXCNPAEOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-18(13-6-4-5-11(2)9-13)14-16-8-7-12(10-15)17-14/h4-9H,3,10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine?
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 107541695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).