5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile

C13H21N7 — CID 25256833

IUPAC5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile
SMILESCC(C)CNc1nc(C#N)nc(N2CCNCC2)c1N
InChIInChI=1S/C13H21N7/c1-9(2)8-17-12-11(15)13(19-10(7-14)18-12)20-5-3-16-4-6-20/h9,16H,3-6,8,15H2,1-2H3,(H,17,18,19)
InChIKeyPCCGUZVUPBIHJH-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.41
Rot. Bonds4

About 5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile

5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile (PubChem CID 25256833) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile
PubChem CID25256833
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile
SMILESCC(C)CNc1nc(C#N)nc(N2CCNCC2)c1N
InChIInChI=1S/C13H21N7/c1-9(2)8-17-12-11(15)13(19-10(7-14)18-12)20-5-3-16-4-6-20/h9,16H,3-6,8,15H2,1-2H3,(H,17,18,19)
InChIKeyPCCGUZVUPBIHJH-UHFFFAOYSA-N
XLogP0.41
TPSA102.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile (CID 25256833) is 5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile is CC(C)CNc1nc(C#N)nc(N2CCNCC2)c1N.
What is the InChIKey of 5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile?
The InChIKey is PCCGUZVUPBIHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-9(2)8-17-12-11(15)13(19-10(7-14)18-12)20-5-3-16-4-6-20/h9,16H,3-6,8,15H2,1-2H3,(H,17,18,19).
What are the key properties of 5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile?
5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile has a molecular weight of 275.36 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methylpropylamino)-6-piperazin-1-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 25256833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).