2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane

C22H27F2N3O3 — CID 144874221

IUPAC2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane
SMILESCC1(C)CC1.C[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2N3O3.C5H10/c1-9(10-4-6-12(7-5-10)25-17(18)19)20-16(24)13-8-14(23)22-15(21-13)11-2-3-11;1-5(2)3-4-5/h4-9,11,17H,2-3H2,1H3,(H,20,24)(H,21,22,23);3-4H2,1-2H3/t9-;/m1./s1
InChIKeyRZMXGTBBEGRQSU-SBSPUUFOSA-N
MW419.47 g/mol
LogP4.55
Rot. Bonds6

About 2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane

2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane (PubChem CID 144874221) has the molecular formula C22H27F2N3O3 and a molecular weight of 419.47 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane
PubChem CID144874221
Molecular FormulaC22H27F2N3O3
Molecular Weight419.47 g/mol
Exact Mass419.20
IUPAC Name2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane
SMILESCC1(C)CC1.C[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2N3O3.C5H10/c1-9(10-4-6-12(7-5-10)25-17(18)19)20-16(24)13-8-14(23)22-15(21-13)11-2-3-11;1-5(2)3-4-5/h4-9,11,17H,2-3H2,1H3,(H,20,24)(H,21,22,23);3-4H2,1-2H3/t9-;/m1./s1
InChIKeyRZMXGTBBEGRQSU-SBSPUUFOSA-N
XLogP4.55
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 162615981
2-cyclopropyl-6-oxo-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136982709
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]-1H-pyrimidine-4-carboxamide
CID 137126133
2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982685
[4-[(1R)-1-[(6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carbonyl)amino]ethyl]phenyl] hypofluorite
CID 136983135
2-cyclopropyl-N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154832427
N-[(1R)-1-(4-cyclopropylphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982694
2-cyclopropyl-N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982737
2-cyclopentyl-N-(1-methylcyclodecyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 166481475
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982620
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982923

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane?
The IUPAC name of 2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane (CID 144874221) is 2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane.
What is the SMILES notation for 2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane?
The canonical SMILES for 2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane is CC1(C)CC1.C[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane?
The InChIKey is RZMXGTBBEGRQSU-SBSPUUFOSA-N. The full InChI is InChI=1S/C17H17F2N3O3.C5H10/c1-9(10-4-6-12(7-5-10)25-17(18)19)20-16(24)13-8-14(23)22-15(21-13)11-2-3-11;1-5(2)3-4-5/h4-9,11,17H,2-3H2,1H3,(H,20,24)(H,21,22,23);3-4H2,1-2H3/t9-;/m1./s1.
What are the key properties of 2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane?
2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane has a molecular weight of 419.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide;1,1-dimethylcyclopropane is sourced from PubChem (CID 144874221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).