5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

C21H19F2N3O — CID 90182149

IUPAC5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C21H19F2N3O/c1-12-3-6-20(25-9-12)16-7-15(16)11-27-21-17(10-24-13(2)26-21)14-4-5-18(22)19(23)8-14/h3-6,8-10,15-16H,7,11H2,1-2H3/t15-,16?/m1/s1
InChIKeyYFVCEGRNSURLOT-AAFJCEBUSA-N
MW367.40 g/mol
LogP4.62
Rot. Bonds5

About 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (PubChem CID 90182149) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
PubChem CID90182149
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C21H19F2N3O/c1-12-3-6-20(25-9-12)16-7-15(16)11-27-21-17(10-24-13(2)26-21)14-4-5-18(22)19(23)8-14/h3-6,8-10,15-16H,7,11H2,1-2H3/t15-,16?/m1/s1
InChIKeyYFVCEGRNSURLOT-AAFJCEBUSA-N
XLogP4.62
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine with MolForge

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Related Compounds

Enecadin
CID 6433114
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
3-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 9976219
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71272262
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272653
1-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 16748086
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
2-(2-Pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475724
(2S)-1-[2-fluoro-4-(2-propan-2-ylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135390126
4-(4-Methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 2810255
2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
CID 71061389

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The IUPAC name of 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (CID 90182149) is 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The canonical SMILES for 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is Cc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2ccc(F)c(F)c2)nc1.
What is the InChIKey of 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The InChIKey is YFVCEGRNSURLOT-AAFJCEBUSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-12-3-6-20(25-9-12)16-7-15(16)11-27-21-17(10-24-13(2)26-21)14-4-5-18(22)19(23)8-14/h3-6,8-10,15-16H,7,11H2,1-2H3/t15-,16?/m1/s1.
What are the key properties of 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine has a molecular weight of 367.40 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is sourced from PubChem (CID 90182149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).