[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine

C16H21N3 — CID 116545007

IUPAC[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
SMILESCc1cnc(C(N)c2cccc(CC(C)C)c2)nc1
InChIInChI=1S/C16H21N3/c1-11(2)7-13-5-4-6-14(8-13)15(17)16-18-9-12(3)10-19-16/h4-6,8-11,15H,7,17H2,1-3H3
InChIKeyAOBIVRIJZHQTNL-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.03
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine

[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine (PubChem CID 116545007) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
PubChem CID116545007
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
SMILESCc1cnc(C(N)c2cccc(CC(C)C)c2)nc1
InChIInChI=1S/C16H21N3/c1-11(2)7-13-5-4-6-14(8-13)15(17)16-18-9-12(3)10-19-16/h4-6,8-11,15H,7,17H2,1-3H3
InChIKeyAOBIVRIJZHQTNL-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544792
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050770
(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544947
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188108
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116545067
[3-(2-methylpropyl)phenyl]-(2-methylpyrazol-3-yl)methanamine
CID 105188165
[3-(2-methylpropyl)phenyl]-(thiadiazol-4-yl)methanamine
CID 105188049

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine (CID 116545007) is [3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine is Cc1cnc(C(N)c2cccc(CC(C)C)c2)nc1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine?
The InChIKey is AOBIVRIJZHQTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)7-13-5-4-6-14(8-13)15(17)16-18-9-12(3)10-19-16/h4-6,8-11,15H,7,17H2,1-3H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine?
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 116545007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).