4-amino-2,6-dichloropyrimidine-5-carboxamide

C5H4Cl2N4O — CID 72942159

IUPAC4-amino-2,6-dichloropyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)nc(Cl)nc1Cl
InChIInChI=1S/C5H4Cl2N4O/c6-2-1(4(9)12)3(8)11-5(7)10-2/h(H2,9,12)(H2,8,10,11)
InChIKeyYMLKQABGWVTDJK-UHFFFAOYSA-N
MW207.02 g/mol
LogP0.46
Rot. Bonds1

About 4-amino-2,6-dichloropyrimidine-5-carboxamide

4-amino-2,6-dichloropyrimidine-5-carboxamide (PubChem CID 72942159) has the molecular formula C5H4Cl2N4O and a molecular weight of 207.02 g/mol. Its IUPAC name is 4-amino-2,6-dichloropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2,6-dichloropyrimidine-5-carboxamide
PubChem CID72942159
Molecular FormulaC5H4Cl2N4O
Molecular Weight207.02 g/mol
Exact Mass205.98
IUPAC Name4-amino-2,6-dichloropyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)nc(Cl)nc1Cl
InChIInChI=1S/C5H4Cl2N4O/c6-2-1(4(9)12)3(8)11-5(7)10-2/h(H2,9,12)(H2,8,10,11)
InChIKeyYMLKQABGWVTDJK-UHFFFAOYSA-N
XLogP0.46
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloropyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2,6-dichloropyrimidine-5-carboxamide (CID 72942159) is 4-amino-2,6-dichloropyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2,6-dichloropyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2,6-dichloropyrimidine-5-carboxamide is NC(=O)c1c(N)nc(Cl)nc1Cl.
What is the InChIKey of 4-amino-2,6-dichloropyrimidine-5-carboxamide?
The InChIKey is YMLKQABGWVTDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N4O/c6-2-1(4(9)12)3(8)11-5(7)10-2/h(H2,9,12)(H2,8,10,11).
What are the key properties of 4-amino-2,6-dichloropyrimidine-5-carboxamide?
4-amino-2,6-dichloropyrimidine-5-carboxamide has a molecular weight of 207.02 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloropyrimidine-5-carboxamide is sourced from PubChem (CID 72942159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).