(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile

C16H18N4 — CID 129389846

IUPAC(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile
SMILESCC(C)(C)[C@@H](C#N)c1ccc(-c2cnc(N)nc2)cc1
InChIInChI=1S/C16H18N4/c1-16(2,3)14(8-17)12-6-4-11(5-7-12)13-9-19-15(18)20-10-13/h4-7,9-10,14H,1-3H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyHNGNJYRSTBTIFS-AWEZNQCLSA-N
MW266.35 g/mol
LogP3.38
Rot. Bonds2

About (2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile

(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile (PubChem CID 129389846) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is (2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile.

Molecular Properties

Compound Name(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile
PubChem CID129389846
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile
SMILESCC(C)(C)[C@@H](C#N)c1ccc(-c2cnc(N)nc2)cc1
InChIInChI=1S/C16H18N4/c1-16(2,3)14(8-17)12-6-4-11(5-7-12)13-9-19-15(18)20-10-13/h4-7,9-10,14H,1-3H3,(H2,18,19,20)/t14-/m0/s1
InChIKeyHNGNJYRSTBTIFS-AWEZNQCLSA-N
XLogP3.38
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-methylpentan-3-yl)phenyl]pyrimidin-2-amine
CID 145116253
2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]pentanenitrile
CID 174702784
5-(4-ethylsulfanylphenyl)pyrimidin-2-amine
CID 39818402
5-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]pyrimidin-2-amine
CID 75104520
4-(2-aminopyrimidin-5-yl)-2-hydroxybenzonitrile
CID 142442040
5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 56837379
2-[6-[4-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]phenyl]pyridazin-3-yl]propan-2-ol
CID 25212570
2-[6-[6-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl]pyridazin-3-yl]propan-2-ol
CID 24752922
2-(2-aminopyrimidin-5-yl)propane-2-thiol
CID 123758067
2-[[5-(4-butan-2-ylphenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975607
2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 82120608
2-cyclopropyl-2-[4-[2-(methylamino)pyrimidin-5-yl]phenyl]acetonitrile
CID 123322334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile?
The IUPAC name of (2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile (CID 129389846) is (2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile.
What is the SMILES notation for (2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile?
The canonical SMILES for (2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile is CC(C)(C)[C@@H](C#N)c1ccc(-c2cnc(N)nc2)cc1.
What is the InChIKey of (2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile?
The InChIKey is HNGNJYRSTBTIFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4/c1-16(2,3)14(8-17)12-6-4-11(5-7-12)13-9-19-15(18)20-10-13/h4-7,9-10,14H,1-3H3,(H2,18,19,20)/t14-/m0/s1.
What are the key properties of (2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile?
(2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile has a molecular weight of 266.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-aminopyrimidin-5-yl)phenyl]-3,3-dimethylbutanenitrile is sourced from PubChem (CID 129389846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).