1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol

C11H17FN4O — CID 80780024

IUPAC1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
SMILESCCNc1ncc(F)c(N2CCCC(O)C2)n1
InChIInChI=1S/C11H17FN4O/c1-2-13-11-14-6-9(12)10(15-11)16-5-3-4-8(17)7-16/h6,8,17H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyJOCFPYYAWOIEEQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.01
Rot. Bonds3

About 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol

1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol (PubChem CID 80780024) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
PubChem CID80780024
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
SMILESCCNc1ncc(F)c(N2CCCC(O)C2)n1
InChIInChI=1S/C11H17FN4O/c1-2-13-11-14-6-9(12)10(15-11)16-5-3-4-8(17)7-16/h6,8,17H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyJOCFPYYAWOIEEQ-UHFFFAOYSA-N
XLogP1.01
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-ethoxypiperidin-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80806454
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
CID 80754583
4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 80856544
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 80799247
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80804390
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971036
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 115563063
5-[(dimethylamino)methyl]-1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidin-3-ol
CID 80855954
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide
CID 80756566

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol (CID 80780024) is 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol is CCNc1ncc(F)c(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol?
The InChIKey is JOCFPYYAWOIEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-2-13-11-14-6-9(12)10(15-11)16-5-3-4-8(17)7-16/h6,8,17H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol?
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol has a molecular weight of 240.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 80780024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).