(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine

C15H17N3 — CID 102923950

IUPAC(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
SMILESNC(c1cncnc1)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H17N3/c16-15(14-8-17-10-18-9-14)13-6-2-5-12(7-13)11-3-1-4-11/h2,5-11,15H,1,3-4,16H2
InChIKeyGAGXLMFLYUDYHR-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.79
Rot. Bonds3

About (3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine

(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine (PubChem CID 102923950) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
PubChem CID102923950
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
SMILESNC(c1cncnc1)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H17N3/c16-15(14-8-17-10-18-9-14)13-6-2-5-12(7-13)11-3-1-4-11/h2,5-11,15H,1,3-4,16H2
InChIKeyGAGXLMFLYUDYHR-UHFFFAOYSA-N
XLogP2.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
(3-chloro-2-pyridinyl)-(3-cyclobutylphenyl)methanamine
CID 103443956
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine
CID 105053761
(3-cyclobutylphenyl)-(2-ethylphenyl)methanamine
CID 105053789
(3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine
CID 105189528

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine?
The IUPAC name of (3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine (CID 102923950) is (3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine?
The canonical SMILES for (3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine is NC(c1cncnc1)c1cccc(C2CCC2)c1.
What is the InChIKey of (3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine?
The InChIKey is GAGXLMFLYUDYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-15(14-8-17-10-18-9-14)13-6-2-5-12(7-13)11-3-1-4-11/h2,5-11,15H,1,3-4,16H2.
What are the key properties of (3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine?
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 102923950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).