N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine

C10H8Cl3N5O — CID 160592150

IUPACN-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
SMILESCC(=O)Nc1cc(Cl)ncn1.Clc1cc(Cl)ncn1
InChIInChI=1S/C6H6ClN3O.C4H2Cl2N2/c1-4(11)10-6-2-5(7)8-3-9-6;5-3-1-4(6)8-2-7-3/h2-3H,1H3,(H,8,9,10,11);1-2H
InChIKeyRDDZWWFOKBGKIV-UHFFFAOYSA-N
MW320.57 g/mol
LogP2.87
Rot. Bonds1

About N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine

N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine (PubChem CID 160592150) has the molecular formula C10H8Cl3N5O and a molecular weight of 320.57 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
PubChem CID160592150
Molecular FormulaC10H8Cl3N5O
Molecular Weight320.57 g/mol
Exact Mass318.98
IUPAC NameN-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
SMILESCC(=O)Nc1cc(Cl)ncn1.Clc1cc(Cl)ncn1
InChIInChI=1S/C6H6ClN3O.C4H2Cl2N2/c1-4(11)10-6-2-5(7)8-3-9-6;5-3-1-4(6)8-2-7-3/h2-3H,1H3,(H,8,9,10,11);1-2H
InChIKeyRDDZWWFOKBGKIV-UHFFFAOYSA-N
XLogP2.87
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-methylpyrimidin-4-amine;4,6-dichloropyrimidine;methanamine
CID 159631663
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 114050017
N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 165133353
1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea
CID 117075041
N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide
CID 114049460
2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
3-bromo-5-chloro-N-(6-chloropyrimidin-4-yl)benzamide
CID 114049580
N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide
CID 114050076
(1S,6R)-6-[(6-chloropyrimidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114049218
N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114050020
4-amino-N-(6-chloropyrimidin-4-yl)-3-ethoxybutanamide
CID 114227604

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine?
The IUPAC name of N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine (CID 160592150) is N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine is CC(=O)Nc1cc(Cl)ncn1.Clc1cc(Cl)ncn1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine?
The InChIKey is RDDZWWFOKBGKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O.C4H2Cl2N2/c1-4(11)10-6-2-5(7)8-3-9-6;5-3-1-4(6)8-2-7-3/h2-3H,1H3,(H,8,9,10,11);1-2H.
What are the key properties of N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine?
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine has a molecular weight of 320.57 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine is sourced from PubChem (CID 160592150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).