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

C15H23N7O — CID 44565820

IUPAC4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile
SMILESCC(=O)N1CCN(c2nc(C#N)nc(NCC(C)C)c2N)CC1
InChIInChI=1S/C15H23N7O/c1-10(2)9-18-14-13(17)15(20-12(8-16)19-14)22-6-4-21(5-7-22)11(3)23/h10H,4-7,9,17H2,1-3H3,(H,18,19,20)
InChIKeyZXQICUPPYQSPMO-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.67
Rot. Bonds4

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

4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile (PubChem CID 44565820) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile
PubChem CID44565820
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile
SMILESCC(=O)N1CCN(c2nc(C#N)nc(NCC(C)C)c2N)CC1
InChIInChI=1S/C15H23N7O/c1-10(2)9-18-14-13(17)15(20-12(8-16)19-14)22-6-4-21(5-7-22)11(3)23/h10H,4-7,9,17H2,1-3H3,(H,18,19,20)
InChIKeyZXQICUPPYQSPMO-UHFFFAOYSA-N
XLogP0.67
TPSA111.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile (CID 44565820) is 4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile is CC(=O)N1CCN(c2nc(C#N)nc(NCC(C)C)c2N)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile?
The InChIKey is ZXQICUPPYQSPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-10(2)9-18-14-13(17)15(20-12(8-16)19-14)22-6-4-21(5-7-22)11(3)23/h10H,4-7,9,17H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile?
4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile has a molecular weight of 317.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-5-amino-6-(2-methylpropylamino)pyrimidine-2-carbonitrile is sourced from PubChem (CID 44565820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).