5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine

C16H21N3 — CID 145116253

IUPAC5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine
SMILESCCC(c1ccc(-c2cnc(N)nc2)cc1)C(C)C
InChIInChI=1S/C16H21N3/c1-4-15(11(2)3)13-7-5-12(6-8-13)14-9-18-16(17)19-10-14/h5-11,15H,4H2,1-3H3,(H2,17,18,19)
InChIKeyMGKQXCLHAAGHSY-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.88
Rot. Bonds4

About 5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine

5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine (PubChem CID 145116253) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine
PubChem CID145116253
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine
SMILESCCC(c1ccc(-c2cnc(N)nc2)cc1)C(C)C
InChIInChI=1S/C16H21N3/c1-4-15(11(2)3)13-7-5-12(6-8-13)14-9-18-16(17)19-10-14/h5-11,15H,4H2,1-3H3,(H2,17,18,19)
InChIKeyMGKQXCLHAAGHSY-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
5-(4-ethylsulfanylphenyl)pyrimidin-2-amine
CID 39818402
1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone
CID 70849693
(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile
CID 129389846
5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine
CID 75104520
4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82089305
2-[4-(2-aminopyrimidin-5-yl)phenyl]ethanol
CID 86086968
5-(5-propan-2-yl-3-pyridinyl)pyrimidin-2-amine
CID 59333399
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 171387685
(3S)-3-methyl-1-[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]pentan-1-one
CID 59690939

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine (CID 145116253) is 5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine is CCC(c1ccc(-c2cnc(N)nc2)cc1)C(C)C.
What is the InChIKey of 5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine?
The InChIKey is MGKQXCLHAAGHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-15(11(2)3)13-7-5-12(6-8-13)14-9-18-16(17)19-10-14/h5-11,15H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine?
5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 145116253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).