5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile

C12H18N6O — CID 44565777

IUPAC5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile
SMILESCC(C)Nc1nc(C#N)nc(N2CCOCC2)c1N
InChIInChI=1S/C12H18N6O/c1-8(2)15-11-10(14)12(17-9(7-13)16-11)18-3-5-19-6-4-18/h8H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyUKQNFXPDHXNYJB-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.59
Rot. Bonds3

About 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile

5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile (PubChem CID 44565777) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile
PubChem CID44565777
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile
SMILESCC(C)Nc1nc(C#N)nc(N2CCOCC2)c1N
InChIInChI=1S/C12H18N6O/c1-8(2)15-11-10(14)12(17-9(7-13)16-11)18-3-5-19-6-4-18/h8H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyUKQNFXPDHXNYJB-UHFFFAOYSA-N
XLogP0.59
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile (CID 44565777) is 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile is CC(C)Nc1nc(C#N)nc(N2CCOCC2)c1N.
What is the InChIKey of 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile?
The InChIKey is UKQNFXPDHXNYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8(2)15-11-10(14)12(17-9(7-13)16-11)18-3-5-19-6-4-18/h8H,3-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile?
5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-morpholin-4-yl-6-(propan-2-ylamino)pyrimidine-2-carbonitrile is sourced from PubChem (CID 44565777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).