2-piperazin-1-yl-1H-pyrimidine-2-carboxamide

C9H15N5O — CID 175949388

IUPAC2-piperazin-1-yl-1H-pyrimidine-2-carboxamide
SMILESNC(=O)C1(N2CCNCC2)N=CC=CN1
InChIInChI=1S/C9H15N5O/c10-8(15)9(12-2-1-3-13-9)14-6-4-11-5-7-14/h1-3,11-12H,4-7H2,(H2,10,15)
InChIKeyOHCSPKBHEKQALS-UHFFFAOYSA-N
MW209.25 g/mol
LogP-1.78
Rot. Bonds2

About 2-piperazin-1-yl-1H-pyrimidine-2-carboxamide

2-piperazin-1-yl-1H-pyrimidine-2-carboxamide (PubChem CID 175949388) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-piperazin-1-yl-1H-pyrimidine-2-carboxamide.

Molecular Properties

Compound Name2-piperazin-1-yl-1H-pyrimidine-2-carboxamide
PubChem CID175949388
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-piperazin-1-yl-1H-pyrimidine-2-carboxamide
SMILESNC(=O)C1(N2CCNCC2)N=CC=CN1
InChIInChI=1S/C9H15N5O/c10-8(15)9(12-2-1-3-13-9)14-6-4-11-5-7-14/h1-3,11-12H,4-7H2,(H2,10,15)
InChIKeyOHCSPKBHEKQALS-UHFFFAOYSA-N
XLogP-1.78
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1H-pyrimidine-2-carboxamide?
The IUPAC name of 2-piperazin-1-yl-1H-pyrimidine-2-carboxamide (CID 175949388) is 2-piperazin-1-yl-1H-pyrimidine-2-carboxamide.
What is the SMILES notation for 2-piperazin-1-yl-1H-pyrimidine-2-carboxamide?
The canonical SMILES for 2-piperazin-1-yl-1H-pyrimidine-2-carboxamide is NC(=O)C1(N2CCNCC2)N=CC=CN1.
What is the InChIKey of 2-piperazin-1-yl-1H-pyrimidine-2-carboxamide?
The InChIKey is OHCSPKBHEKQALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-8(15)9(12-2-1-3-13-9)14-6-4-11-5-7-14/h1-3,11-12H,4-7H2,(H2,10,15).
What are the key properties of 2-piperazin-1-yl-1H-pyrimidine-2-carboxamide?
2-piperazin-1-yl-1H-pyrimidine-2-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1H-pyrimidine-2-carboxamide is sourced from PubChem (CID 175949388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).