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

C17H24FN5O2 — CID 175805479

IUPAC4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOCCn1cc(Nc2ncc(F)c(OCC3CCCCC3)n2)cn1
InChIInChI=1S/C17H24FN5O2/c1-24-8-7-23-11-14(9-20-23)21-17-19-10-15(18)16(22-17)25-12-13-5-3-2-4-6-13/h9-11,13H,2-8,12H2,1H3,(H,19,21,22)
InChIKeyDKKLMIWFOWSFOU-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.16
Rot. Bonds8

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

4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 175805479) has the molecular formula C17H24FN5O2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID175805479
Molecular FormulaC17H24FN5O2
Molecular Weight349.41 g/mol
Exact Mass349.19
IUPAC Name4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOCCn1cc(Nc2ncc(F)c(OCC3CCCCC3)n2)cn1
InChIInChI=1S/C17H24FN5O2/c1-24-8-7-23-11-14(9-20-23)21-17-19-10-15(18)16(22-17)25-12-13-5-3-2-4-6-13/h9-11,13H,2-8,12H2,1H3,(H,19,21,22)
InChIKeyDKKLMIWFOWSFOU-UHFFFAOYSA-N
XLogP3.16
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 175805342
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-(cyclohexylmethoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80879473
4-(cyclohexylmethoxy)-5-fluoro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 175805419
4-(cyclopentylmethoxy)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80877804
4-[[5-fluoro-2-[[1-(2-isocyanopropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385519
2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 123763380
2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine
CID 133338800
3,5-difluoro-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]benzonitrile
CID 81293517
2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
CID 165385529
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 99992806

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine (CID 175805479) is 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine is COCCn1cc(Nc2ncc(F)c(OCC3CCCCC3)n2)cn1.
What is the InChIKey of 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is DKKLMIWFOWSFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O2/c1-24-8-7-23-11-14(9-20-23)21-17-19-10-15(18)16(22-17)25-12-13-5-3-2-4-6-13/h9-11,13H,2-8,12H2,1H3,(H,19,21,22).
What are the key properties of 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine?
4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 349.41 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 175805479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).