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

C13H16N4 — CID 62970102

IUPACN-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine
SMILESCc1nccc(N(C)c2ccc(CN)cc2)n1
InChIInChI=1S/C13H16N4/c1-10-15-8-7-13(16-10)17(2)12-5-3-11(9-14)4-6-12/h3-8H,9,14H2,1-2H3
InChIKeyKKOGNBHZFXUKOD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.01
Rot. Bonds3

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

N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 62970102) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine
PubChem CID62970102
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine
SMILESCc1nccc(N(C)c2ccc(CN)cc2)n1
InChIInChI=1S/C13H16N4/c1-10-15-8-7-13(16-10)17(2)12-5-3-11(9-14)4-6-12/h3-8H,9,14H2,1-2H3
InChIKeyKKOGNBHZFXUKOD-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine (CID 62970102) is N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine is Cc1nccc(N(C)c2ccc(CN)cc2)n1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is KKOGNBHZFXUKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-15-8-7-13(16-10)17(2)12-5-3-11(9-14)4-6-12/h3-8H,9,14H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-amine?
N-[4-(aminomethyl)phenyl]-N,2-dimethylpyrimidin-4-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,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62970102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).