2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile

C12H17N5 — CID 70870276

IUPAC2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile
SMILESCC(C)N1CCN(c2ncc(C#N)cn2)CC1
InChIInChI=1S/C12H17N5/c1-10(2)16-3-5-17(6-4-16)12-14-8-11(7-13)9-15-12/h8-10H,3-6H2,1-2H3
InChIKeyMPPPERKASQGWMT-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.88
Rot. Bonds2

About 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile

2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile (PubChem CID 70870276) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile
PubChem CID70870276
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile
SMILESCC(C)N1CCN(c2ncc(C#N)cn2)CC1
InChIInChI=1S/C12H17N5/c1-10(2)16-3-5-17(6-4-16)12-14-8-11(7-13)9-15-12/h8-10H,3-6H2,1-2H3
InChIKeyMPPPERKASQGWMT-UHFFFAOYSA-N
XLogP0.88
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile (CID 70870276) is 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile is CC(C)N1CCN(c2ncc(C#N)cn2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is MPPPERKASQGWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-10(2)16-3-5-17(6-4-16)12-14-8-11(7-13)9-15-12/h8-10H,3-6H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile?
2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 70870276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).