2,4-dichloropyrimidine-5-carboxamide

C5H3Cl2N3O — CID 21223080

IUPAC2,4-dichloropyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl2N3O/c6-3-2(4(8)11)1-9-5(7)10-3/h1H,(H2,8,11)
InChIKeyOACCNUGECQQVLB-UHFFFAOYSA-N
MW192.00 g/mol
LogP0.88
Rot. Bonds1

About 2,4-dichloropyrimidine-5-carboxamide

2,4-dichloropyrimidine-5-carboxamide (PubChem CID 21223080) has the molecular formula C5H3Cl2N3O and a molecular weight of 192.00 g/mol. Its IUPAC name is 2,4-dichloropyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dichloropyrimidine-5-carboxamide
PubChem CID21223080
Molecular FormulaC5H3Cl2N3O
Molecular Weight192.00 g/mol
Exact Mass190.97
IUPAC Name2,4-dichloropyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl2N3O/c6-3-2(4(8)11)1-9-5(7)10-3/h1H,(H2,8,11)
InChIKeyOACCNUGECQQVLB-UHFFFAOYSA-N
XLogP0.88
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.00
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-5-pyrimidinecarboxamide
CID 818212
2-Aminopyrimidine-5-carbaldehyde
CID 769097
Pyrimidine-5-carboxamide
CID 351819
2-amino-N-hydroxypyrimidine-5-carboxamide
CID 87814574
Pyrimidine, 5-carbamoyl-2-methylamino-
CID 69179728
2,4-Dichloropyrimidine-5-carbonyl chloride
CID 13784112
4-Chloropyrimidine-5-carbonyl chloride
CID 15136787
1-(2,4-Dichloropyrimidin-5-yl)ethan-1-one
CID 21274708
2-Chloropyrimidine-5-carbaldehyde
CID 21698350
2,4-Dichloro-5-pyrimidinecarboxylic acid
CID 21941896
2-Aminopyrimidine-5-carboxamide
CID 254895
2-Chloro-5-pyrimidinecarbonyl chloride
CID 10631129

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloropyrimidine-5-carboxamide?
The IUPAC name of 2,4-dichloropyrimidine-5-carboxamide (CID 21223080) is 2,4-dichloropyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dichloropyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dichloropyrimidine-5-carboxamide is NC(=O)c1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloropyrimidine-5-carboxamide?
The InChIKey is OACCNUGECQQVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2N3O/c6-3-2(4(8)11)1-9-5(7)10-3/h1H,(H2,8,11).
What are the key properties of 2,4-dichloropyrimidine-5-carboxamide?
2,4-dichloropyrimidine-5-carboxamide has a molecular weight of 192.00 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloropyrimidine-5-carboxamide is sourced from PubChem (CID 21223080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).