N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine

C13H16N4 — CID 55161656

IUPACN-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(N(C)c2ccc(CN)cc2)nc1
InChIInChI=1S/C13H16N4/c1-10-8-15-13(16-9-10)17(2)12-5-3-11(7-14)4-6-12/h3-6,8-9H,7,14H2,1-2H3
InChIKeyUMBPONIJVCEWMV-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.01
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine

N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 55161656) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine
PubChem CID55161656
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(N(C)c2ccc(CN)cc2)nc1
InChIInChI=1S/C13H16N4/c1-10-8-15-13(16-9-10)17(2)12-5-3-11(7-14)4-6-12/h3-6,8-9H,7,14H2,1-2H3
InChIKeyUMBPONIJVCEWMV-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine
CID 107874273
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553
4-N-(5-ethylpyrimidin-2-yl)-4-N-methylbenzene-1,4-diamine
CID 116977621
N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine
CID 62970102
N-[4-(aminomethyl)phenyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 66317606
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612
2-N-methyl-2-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 104556690
4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62971157
N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
CID 117041651
N-[4-(aminomethyl)phenyl]-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 62971671
5-(aminomethyl)-N,N-dimethylpyrimidin-2-amine
CID 62757845

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine (CID 55161656) is N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine is Cc1cnc(N(C)c2ccc(CN)cc2)nc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is UMBPONIJVCEWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-8-15-13(16-9-10)17(2)12-5-3-11(7-14)4-6-12/h3-6,8-9H,7,14H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine?
N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 55161656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).