2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile

C8H10N4O — CID 166150407

IUPAC2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile
SMILESCC(C)(O)c1nc(N)ncc1C#N
InChIInChI=1S/C8H10N4O/c1-8(2,13)6-5(3-9)4-11-7(10)12-6/h4,13H,1-2H3,(H2,10,11,12)
InChIKeyRGAGPMOIHDSMEN-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.16
Rot. Bonds1

About 2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile

2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile (PubChem CID 166150407) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile
PubChem CID166150407
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile
SMILESCC(C)(O)c1nc(N)ncc1C#N
InChIInChI=1S/C8H10N4O/c1-8(2,13)6-5(3-9)4-11-7(10)12-6/h4,13H,1-2H3,(H2,10,11,12)
InChIKeyRGAGPMOIHDSMEN-UHFFFAOYSA-N
XLogP0.16
TPSA95.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile (CID 166150407) is 2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile is CC(C)(O)c1nc(N)ncc1C#N.
What is the InChIKey of 2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is RGAGPMOIHDSMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-8(2,13)6-5(3-9)4-11-7(10)12-6/h4,13H,1-2H3,(H2,10,11,12).
What are the key properties of 2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile?
2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-hydroxypropan-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 166150407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).