4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C14H23FN4O — CID 80843418

IUPAC4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2nc(NC)ncc2F)CC1
InChIInChI=1S/C14H23FN4O/c1-3-10-4-6-14(20,7-5-10)9-18-12-11(15)8-17-13(16-2)19-12/h8,10,20H,3-7,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyYDILHRHRVRWQTL-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.40
Rot. Bonds5

About 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 80843418) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID80843418
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2nc(NC)ncc2F)CC1
InChIInChI=1S/C14H23FN4O/c1-3-10-4-6-14(20,7-5-10)9-18-12-11(15)8-17-13(16-2)19-12/h8,10,20H,3-7,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyYDILHRHRVRWQTL-UHFFFAOYSA-N
XLogP2.40
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842338
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842820
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80847388
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80842915
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
4-ethyl-1-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80827568
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143772
1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80843585
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80768846
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 80843418) is 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNc2nc(NC)ncc2F)CC1.
What is the InChIKey of 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is YDILHRHRVRWQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-3-10-4-6-14(20,7-5-10)9-18-12-11(15)8-17-13(16-2)19-12/h8,10,20H,3-7,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 282.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80843418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).