5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile

C12H18N6O — CID 44565822

IUPAC5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile
SMILESCC(C)CNc1nc(C#N)nc(N2CC(O)C2)c1N
InChIInChI=1S/C12H18N6O/c1-7(2)4-15-11-10(14)12(17-9(3-13)16-11)18-5-8(19)6-18/h7-8,19H,4-6,14H2,1-2H3,(H,15,16,17)
InChIKeyWQUSEUSKTYYESC-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.18
Rot. Bonds4

About 5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile

5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile (PubChem CID 44565822) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile
PubChem CID44565822
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile
SMILESCC(C)CNc1nc(C#N)nc(N2CC(O)C2)c1N
InChIInChI=1S/C12H18N6O/c1-7(2)4-15-11-10(14)12(17-9(3-13)16-11)18-5-8(19)6-18/h7-8,19H,4-6,14H2,1-2H3,(H,15,16,17)
InChIKeyWQUSEUSKTYYESC-UHFFFAOYSA-N
XLogP0.18
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile (CID 44565822) is 5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile is CC(C)CNc1nc(C#N)nc(N2CC(O)C2)c1N.
What is the InChIKey of 5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile?
The InChIKey is WQUSEUSKTYYESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-7(2)4-15-11-10(14)12(17-9(3-13)16-11)18-5-8(19)6-18/h7-8,19H,4-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile?
5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxyazetidin-1-yl)-6-(2-methylpropylamino)pyrimidine-2-carbonitrile is sourced from PubChem (CID 44565822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).