4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile

C10H14N6 — CID 2816413

IUPAC4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
SMILESCN1CCN(c2ncc(C#N)c(N)n2)CC1
InChIInChI=1S/C10H14N6/c1-15-2-4-16(5-3-15)10-13-7-8(6-11)9(12)14-10/h7H,2-5H2,1H3,(H2,12,13,14)
InChIKeyJVINSPXXPZUMTH-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.32
Rot. Bonds1

About 4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile

4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile (PubChem CID 2816413) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
PubChem CID2816413
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile
SMILESCN1CCN(c2ncc(C#N)c(N)n2)CC1
InChIInChI=1S/C10H14N6/c1-15-2-4-16(5-3-15)10-13-7-8(6-11)9(12)14-10/h7H,2-5H2,1H3,(H2,12,13,14)
InChIKeyJVINSPXXPZUMTH-UHFFFAOYSA-N
XLogP-0.32
TPSA82.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile (CID 2816413) is 4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile is CN1CCN(c2ncc(C#N)c(N)n2)CC1.
What is the InChIKey of 4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is JVINSPXXPZUMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-15-2-4-16(5-3-15)10-13-7-8(6-11)9(12)14-10/h7H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile?
4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 2816413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).