N-[2-(aminomethyl)phenyl]pyrimidin-2-amine

C11H12N4 — CID 63760524

IUPACN-[2-(aminomethyl)phenyl]pyrimidin-2-amine
SMILESNCc1ccccc1Nc1ncccn1
InChIInChI=1S/C11H12N4/c12-8-9-4-1-2-5-10(9)15-11-13-6-3-7-14-11/h1-7H,8,12H2,(H,13,14,15)
InChIKeyQWJGPYUYHOBQDQ-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.68
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]pyrimidin-2-amine

N-[2-(aminomethyl)phenyl]pyrimidin-2-amine (PubChem CID 63760524) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]pyrimidin-2-amine
PubChem CID63760524
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC NameN-[2-(aminomethyl)phenyl]pyrimidin-2-amine
SMILESNCc1ccccc1Nc1ncccn1
InChIInChI=1S/C11H12N4/c12-8-9-4-1-2-5-10(9)15-11-13-6-3-7-14-11/h1-7H,8,12H2,(H,13,14,15)
InChIKeyQWJGPYUYHOBQDQ-UHFFFAOYSA-N
XLogP1.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)anilino]pyridine-3-carboxamide
CID 55241412
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
N-[2-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-5-amine
CID 102627155
N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine
CID 115017561
N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
CID 63765703
4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079084
N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63765889
N-[2-(aminomethyl)phenyl]-6-methoxy-9-methylpurin-2-amine
CID 167077221
2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine
CID 155058868
2-[2-(aminomethyl)anilino]benzenesulfonamide
CID 63761931
2-[[5-(aminomethyl)pyrimidin-2-yl]amino]phenol
CID 115029561
N-[2-[2-(aminomethyl)phenyl]phenyl]quinolin-8-amine
CID 174947176

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]pyrimidin-2-amine (CID 63760524) is N-[2-(aminomethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]pyrimidin-2-amine is NCc1ccccc1Nc1ncccn1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]pyrimidin-2-amine?
The InChIKey is QWJGPYUYHOBQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-8-9-4-1-2-5-10(9)15-11-13-6-3-7-14-11/h1-7H,8,12H2,(H,13,14,15).
What are the key properties of N-[2-(aminomethyl)phenyl]pyrimidin-2-amine?
N-[2-(aminomethyl)phenyl]pyrimidin-2-amine has a molecular weight of 200.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 63760524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).