4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

C19H26FN5O — CID 170437926

IUPAC4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCC[C@@H](F)CNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H26FN5O/c1-2-13(20)11-22-19-23-12-16(17-5-3-4-10-21-17)18(25-19)24-14-6-8-15(26)9-7-14/h3-5,10,12-15,26H,2,6-9,11H2,1H3,(H2,22,23,24,25)/t13-,14?,15?/m1/s1
InChIKeyATXUHICBTCQJEN-WLYUNCDWSA-N
MW359.45 g/mol
LogP3.41
Rot. Bonds7

About 4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 170437926) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID170437926
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCC[C@@H](F)CNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H26FN5O/c1-2-13(20)11-22-19-23-12-16(17-5-3-4-10-21-17)18(25-19)24-14-6-8-15(26)9-7-14/h3-5,10,12-15,26H,2,6-9,11H2,1H3,(H2,22,23,24,25)/t13-,14?,15?/m1/s1
InChIKeyATXUHICBTCQJEN-WLYUNCDWSA-N
XLogP3.41
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 170437926) is 4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is CC[C@@H](F)CNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is ATXUHICBTCQJEN-WLYUNCDWSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-2-13(20)11-22-19-23-12-16(17-5-3-4-10-21-17)18(25-19)24-14-6-8-15(26)9-7-14/h3-5,10,12-15,26H,2,6-9,11H2,1H3,(H2,22,23,24,25)/t13-,14?,15?/m1/s1.
What are the key properties of 4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 359.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(2R)-2-fluorobutyl]amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 170437926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).