6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride

C10H14Cl2N6O2 — CID 89422597

IUPAC6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(N2CCNCC2C(N)=O)nc(Cl)n1
InChIInChI=1S/C10H13ClN6O2.ClH/c11-10-15-5(8(12)18)3-7(16-10)17-2-1-14-4-6(17)9(13)19;/h3,6,14H,1-2,4H2,(H2,12,18)(H2,13,19);1H
InChIKeyIMPOSDQKINCYFB-UHFFFAOYSA-N
MW321.17 g/mol
LogP-1.09
Rot. Bonds3

About 6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride

6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride (PubChem CID 89422597) has the molecular formula C10H14Cl2N6O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride
PubChem CID89422597
Molecular FormulaC10H14Cl2N6O2
Molecular Weight321.17 g/mol
Exact Mass320.06
IUPAC Name6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(N2CCNCC2C(N)=O)nc(Cl)n1
InChIInChI=1S/C10H13ClN6O2.ClH/c11-10-15-5(8(12)18)3-7(16-10)17-2-1-14-4-6(17)9(13)19;/h3,6,14H,1-2,4H2,(H2,12,18)(H2,13,19);1H
InChIKeyIMPOSDQKINCYFB-UHFFFAOYSA-N
XLogP-1.09
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of 6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride (CID 89422597) is 6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for 6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride is Cl.NC(=O)c1cc(N2CCNCC2C(N)=O)nc(Cl)n1.
What is the InChIKey of 6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride?
The InChIKey is IMPOSDQKINCYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O2.ClH/c11-10-15-5(8(12)18)3-7(16-10)17-2-1-14-4-6(17)9(13)19;/h3,6,14H,1-2,4H2,(H2,12,18)(H2,13,19);1H.
What are the key properties of 6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride?
6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride has a molecular weight of 321.17 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-carbamoylpiperazin-1-yl)-2-chloropyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 89422597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).