4-[amino(phenyl)methyl]pyrimidin-2-amine

C11H12N4 — CID 112708629

IUPAC4-[amino(phenyl)methyl]pyrimidin-2-amine
SMILESNc1nccc(C(N)c2ccccc2)n1
InChIInChI=1S/C11H12N4/c12-10(8-4-2-1-3-5-8)9-6-7-14-11(13)15-9/h1-7,10H,12H2,(H2,13,14,15)
InChIKeyBRKSAEQIEZXGDN-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.11
Rot. Bonds2

About 4-[amino(phenyl)methyl]pyrimidin-2-amine

4-[amino(phenyl)methyl]pyrimidin-2-amine (PubChem CID 112708629) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 4-[amino(phenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[amino(phenyl)methyl]pyrimidin-2-amine
PubChem CID112708629
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name4-[amino(phenyl)methyl]pyrimidin-2-amine
SMILESNc1nccc(C(N)c2ccccc2)n1
InChIInChI=1S/C11H12N4/c12-10(8-4-2-1-3-5-8)9-6-7-14-11(13)15-9/h1-7,10H,12H2,(H2,13,14,15)
InChIKeyBRKSAEQIEZXGDN-UHFFFAOYSA-N
XLogP1.11
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-aminoethyl]pyrimidin-2-amine
CID 82418451
(4-methyl-2-pyridinyl)-phenylmethanamine
CID 571849
4-pentan-3-ylpyrimidin-2-amine
CID 90738361
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395
(S)-1,3-oxazol-2-yl(phenyl)methanamine
CID 96656176
4-[1-(2-chlorophenyl)sulfanylethyl]pyrimidin-2-amine
CID 67260945
7-[amino(phenyl)methyl]quinolin-8-amine
CID 174698736
(6-naphthalen-1-yl-2-pyridinyl)-phenylmethanamine
CID 142140341
(2-methylpyrimidin-4-yl)-quinolin-3-ylmethanamine
CID 115530428
(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530103
5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
CID 65416623
diphenylmethanamine;methanethiol
CID 143873840

Frequently Asked Questions

What is the IUPAC name of 4-[amino(phenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[amino(phenyl)methyl]pyrimidin-2-amine (CID 112708629) is 4-[amino(phenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[amino(phenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[amino(phenyl)methyl]pyrimidin-2-amine is Nc1nccc(C(N)c2ccccc2)n1.
What is the InChIKey of 4-[amino(phenyl)methyl]pyrimidin-2-amine?
The InChIKey is BRKSAEQIEZXGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-10(8-4-2-1-3-5-8)9-6-7-14-11(13)15-9/h1-7,10H,12H2,(H2,13,14,15).
What are the key properties of 4-[amino(phenyl)methyl]pyrimidin-2-amine?
4-[amino(phenyl)methyl]pyrimidin-2-amine has a molecular weight of 200.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(phenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112708629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).