4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine

C16H19F4N5O — CID 175805342

IUPAC4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESFc1cnc(Nc2cnn(CC(F)(F)F)c2)nc1OCC1CCCCC1
InChIInChI=1S/C16H19F4N5O/c17-13-7-21-15(23-12-6-22-25(8-12)10-16(18,19)20)24-14(13)26-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,21,23,24)
InChIKeyDEMSNTNQFUNUST-UHFFFAOYSA-N
MW373.35 g/mol
LogP4.08
Rot. Bonds6

About 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine

4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 175805342) has the molecular formula C16H19F4N5O and a molecular weight of 373.35 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID175805342
Molecular FormulaC16H19F4N5O
Molecular Weight373.35 g/mol
Exact Mass373.15
IUPAC Name4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESFc1cnc(Nc2cnn(CC(F)(F)F)c2)nc1OCC1CCCCC1
InChIInChI=1S/C16H19F4N5O/c17-13-7-21-15(23-12-6-22-25(8-12)10-16(18,19)20)24-14(13)26-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,21,23,24)
InChIKeyDEMSNTNQFUNUST-UHFFFAOYSA-N
XLogP4.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 175805479
4-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80879473
N-[4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
CID 165385639
N-(3-chloro-1-methylpyrazol-4-yl)-4-(cyclohexylmethoxy)-5-fluoropyrimidin-2-amine
CID 175805376
4-[[5-fluoro-2-[[1-(2-isocyanopropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385519
4-(cyclopentylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80877804
2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
CID 165385529
4-(cyclohexylmethoxy)-5-fluoro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 175805419
5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine
CID 175805445
4-[[2-[[1-(difluoromethyl)-5-methylpyrazol-4-yl]amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385742
5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385739
5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[1-(1,1,1-trifluoropropan-2-ylamino)piperidin-4-yl]methoxy]pyrimidin-2-amine
CID 167346795

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine (CID 175805342) is 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine is Fc1cnc(Nc2cnn(CC(F)(F)F)c2)nc1OCC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is DEMSNTNQFUNUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N5O/c17-13-7-21-15(23-12-6-22-25(8-12)10-16(18,19)20)24-14(13)26-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,21,23,24).
What are the key properties of 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine?
4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 373.35 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 175805342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).