1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide

C10H11F2N3O — CID 171833200

IUPAC1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide
SMILESCC(F)(F)c1ncncc1C1(C(N)=O)CC1
InChIInChI=1S/C10H11F2N3O/c1-9(11,12)7-6(4-14-5-15-7)10(2-3-10)8(13)16/h4-5H,2-3H2,1H3,(H2,13,16)
InChIKeyZDKMVLZXPUCSMS-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.11
Rot. Bonds3

About 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide

1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide (PubChem CID 171833200) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide
PubChem CID171833200
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide
SMILESCC(F)(F)c1ncncc1C1(C(N)=O)CC1
InChIInChI=1S/C10H11F2N3O/c1-9(11,12)7-6(4-14-5-15-7)10(2-3-10)8(13)16/h4-5H,2-3H2,1H3,(H2,13,16)
InChIKeyZDKMVLZXPUCSMS-UHFFFAOYSA-N
XLogP1.11
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 58464678
4-[2-Chloro-4-(trifluoromethyl)pyrimidin-5-yl]butan-2-one
CID 89814913
1-[2-Chloro-4-(trifluoromethyl)pyrimidin-5-yl]propan-2-one
CID 89815525
4-[2-Chloro-4-(trifluoromethyl)pyrimidin-5-yl]butanal
CID 89816051
1-[4-(Trifluoromethyl)pyrimidin-5-yl]cyclopropane-1-carboxylic acid
CID 96894476
5-(2-Methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 134590784
2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]-N-ethylacetamide
CID 140269892
(1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide
CID 143387696
6-Pyrimidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 146306729
2-(2-Chloro-5-fluoropyrimidin-4-yl)-3-methylbutanamide
CID 166756913
4-(2-Chloro-5-fluoropyrimidin-4-yl)-3-methylbutanamide
CID 166756914
2-(2-Chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide
CID 166756934

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide (CID 171833200) is 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide is CC(F)(F)c1ncncc1C1(C(N)=O)CC1.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide?
The InChIKey is ZDKMVLZXPUCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c1-9(11,12)7-6(4-14-5-15-7)10(2-3-10)8(13)16/h4-5H,2-3H2,1H3,(H2,13,16).
What are the key properties of 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide?
1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide has a molecular weight of 227.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171833200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).