4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

C17H22FN5O2 — CID 165385530

IUPAC4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESOC1CCC(COc2nc(Nc3cnn(C4CC4)c3)ncc2F)CC1
InChIInChI=1S/C17H22FN5O2/c18-15-8-19-17(21-12-7-20-23(9-12)13-3-4-13)22-16(15)25-10-11-1-5-14(24)6-2-11/h7-9,11,13-14,24H,1-6,10H2,(H,19,21,22)
InChIKeyMRJMTQLLDFRRPT-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.82
Rot. Bonds6

About 4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 165385530) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
PubChem CID165385530
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESOC1CCC(COc2nc(Nc3cnn(C4CC4)c3)ncc2F)CC1
InChIInChI=1S/C17H22FN5O2/c18-15-8-19-17(21-12-7-20-23(9-12)13-3-4-13)22-16(15)25-10-11-1-5-14(24)6-2-11/h7-9,11,13-14,24H,1-6,10H2,(H,19,21,22)
InChIKeyMRJMTQLLDFRRPT-UHFFFAOYSA-N
XLogP2.82
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (CID 165385530) is 4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is OC1CCC(COc2nc(Nc3cnn(C4CC4)c3)ncc2F)CC1.
What is the InChIKey of 4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is MRJMTQLLDFRRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c18-15-8-19-17(21-12-7-20-23(9-12)13-3-4-13)22-16(15)25-10-11-1-5-14(24)6-2-11/h7-9,11,13-14,24H,1-6,10H2,(H,19,21,22).
What are the key properties of 4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 347.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 165385530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).