N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide

C11H13ClF2N4O — CID 167339580

IUPACN-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCNc1nc(Cl)nc(C)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C11H13ClF2N4O/c1-5-7(8(15-2)18-10(12)16-5)17-9(19)6-3-11(13,14)4-6/h6H,3-4H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyFQOBIPSXLKXCEW-UHFFFAOYSA-N
MW290.70 g/mol
LogP2.46
Rot. Bonds3

About N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide

N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 167339580) has the molecular formula C11H13ClF2N4O and a molecular weight of 290.70 g/mol. Its IUPAC name is N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide
PubChem CID167339580
Molecular FormulaC11H13ClF2N4O
Molecular Weight290.70 g/mol
Exact Mass290.07
IUPAC NameN-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCNc1nc(Cl)nc(C)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C11H13ClF2N4O/c1-5-7(8(15-2)18-10(12)16-5)17-9(19)6-3-11(13,14)4-6/h6H,3-4H2,1-2H3,(H,17,19)(H,15,16,18)
InChIKeyFQOBIPSXLKXCEW-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one
CID 146194952
N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]butanamide
CID 146369252
2-[[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106346854
2-chloro-6-methyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,5-diamine
CID 108135752
2-[[5-amino-2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(cyclopropylmethyl)acetamide
CID 138048068
N-[2-fluoro-6-methyl-5-(2-methylpropylideneamino)pyrimidin-4-yl]pentanamide
CID 153401257
N-[5-(ethylideneamino)-2-fluoro-6-methylpyrimidin-4-yl]hexanamide
CID 153401261
N-[2-fluoro-6-methyl-5-(2-methylbutylideneamino)pyrimidin-4-yl]hexanamide
CID 153538192
N-[2-(butylamino)-4-methyl-6-(methylamino)pyrimidin-5-yl]acetamide
CID 135129571
N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide
CID 135129756
2-chloro-4,8-dimethylspiro[5H-pteridine-7,1'-cyclobutane]-6-one
CID 146193927
3-[(5-Amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106095560

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide (CID 167339580) is N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide is CNc1nc(Cl)nc(C)c1NC(=O)C1CC(F)(F)C1.
What is the InChIKey of N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is FQOBIPSXLKXCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N4O/c1-5-7(8(15-2)18-10(12)16-5)17-9(19)6-3-11(13,14)4-6/h6H,3-4H2,1-2H3,(H,17,19)(H,15,16,18).
What are the key properties of N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide?
N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 290.70 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-methyl-6-(methylamino)pyrimidin-5-yl]-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 167339580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).