(4-pyrimidin-4-ylphenyl)methanamine

C11H11N3 — CID 28815273

IUPAC(4-pyrimidin-4-ylphenyl)methanamine
SMILESNCc1ccc(-c2ccncn2)cc1
InChIInChI=1S/C11H11N3/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-14-11/h1-6,8H,7,12H2
InChIKeyJZGQBVBIWJNQQL-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.60
Rot. Bonds2

About (4-pyrimidin-4-ylphenyl)methanamine

(4-pyrimidin-4-ylphenyl)methanamine (PubChem CID 28815273) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is (4-pyrimidin-4-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-pyrimidin-4-ylphenyl)methanamine
PubChem CID28815273
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name(4-pyrimidin-4-ylphenyl)methanamine
SMILESNCc1ccc(-c2ccncn2)cc1
InChIInChI=1S/C11H11N3/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-14-11/h1-6,8H,7,12H2
InChIKeyJZGQBVBIWJNQQL-UHFFFAOYSA-N
XLogP1.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-bromophenyl)phenyl]pyrimidine
CID 174799643
5-pyrimidin-4-ylpyridin-2-amine
CID 130447007
[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride
CID 82021904
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine
CID 145311674
(4-pyrimidin-4-ylphenyl) formate
CID 139536850
[2-[4-(aminomethyl)phenyl]-4-pyridinyl]methanol
CID 150361039
(6-pyrimidin-5-yl-3-pyridinyl)methanamine
CID 91623834
N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline
CID 141092448
[6-[4-(aminomethyl)phenyl]-3-pyridinyl]boronic acid
CID 150578069
ethane;pyrimidin-4-ylmethanamine
CID 90939628
[4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine
CID 66223467

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-4-ylphenyl)methanamine?
The IUPAC name of (4-pyrimidin-4-ylphenyl)methanamine (CID 28815273) is (4-pyrimidin-4-ylphenyl)methanamine.
What is the SMILES notation for (4-pyrimidin-4-ylphenyl)methanamine?
The canonical SMILES for (4-pyrimidin-4-ylphenyl)methanamine is NCc1ccc(-c2ccncn2)cc1.
What is the InChIKey of (4-pyrimidin-4-ylphenyl)methanamine?
The InChIKey is JZGQBVBIWJNQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-14-11/h1-6,8H,7,12H2.
What are the key properties of (4-pyrimidin-4-ylphenyl)methanamine?
(4-pyrimidin-4-ylphenyl)methanamine has a molecular weight of 185.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-4-ylphenyl)methanamine is sourced from PubChem (CID 28815273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).