N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine

C13H12ClF2N5O — CID 165133352

IUPACN-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine
SMILESCc1ccncn1.O=C(Nc1cc(Cl)ncn1)C1CC1(F)F
InChIInChI=1S/C8H6ClF2N3O.C5H6N2/c9-5-1-6(13-3-12-5)14-7(15)4-2-8(4,10)11;1-5-2-3-6-4-7-5/h1,3-4H,2H2,(H,12,13,14,15);2-4H,1H3
InChIKeySEDJOVCIGRVPPU-UHFFFAOYSA-N
MW327.72 g/mol
LogP2.51
Rot. Bonds2

About N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine

N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine (PubChem CID 165133352) has the molecular formula C13H12ClF2N5O and a molecular weight of 327.72 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine
PubChem CID165133352
Molecular FormulaC13H12ClF2N5O
Molecular Weight327.72 g/mol
Exact Mass327.07
IUPAC NameN-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine
SMILESCc1ccncn1.O=C(Nc1cc(Cl)ncn1)C1CC1(F)F
InChIInChI=1S/C8H6ClF2N3O.C5H6N2/c9-5-1-6(13-3-12-5)14-7(15)4-2-8(4,10)11;1-5-2-3-6-4-7-5/h1,3-4H,2H2,(H,12,13,14,15);2-4H,1H3
InChIKeySEDJOVCIGRVPPU-UHFFFAOYSA-N
XLogP2.51
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine (CID 165133352) is N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine is Cc1ccncn1.O=C(Nc1cc(Cl)ncn1)C1CC1(F)F.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine?
The InChIKey is SEDJOVCIGRVPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3O.C5H6N2/c9-5-1-6(13-3-12-5)14-7(15)4-2-8(4,10)11;1-5-2-3-6-4-7-5/h1,3-4H,2H2,(H,12,13,14,15);2-4H,1H3.
What are the key properties of N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine?
N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine has a molecular weight of 327.72 g/mol, XLogP of 2.51, 2 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)-2,2-difluorocyclopropane-1-carboxamide;4-methylpyrimidine is sourced from PubChem (CID 165133352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).