2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

C12H18FN3O — CID 71906577

IUPAC2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCCc1ncnc(NCC2CCCC2O)c1F
InChIInChI=1S/C12H18FN3O/c1-2-9-11(13)12(16-7-15-9)14-6-8-4-3-5-10(8)17/h7-8,10,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyMEQYGDURGWSXPQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.75
Rot. Bonds4

About 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol

2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 71906577) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID71906577
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESCCc1ncnc(NCC2CCCC2O)c1F
InChIInChI=1S/C12H18FN3O/c1-2-9-11(13)12(16-7-15-9)14-6-8-4-3-5-10(8)17/h7-8,10,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyMEQYGDURGWSXPQ-UHFFFAOYSA-N
XLogP1.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

4-[2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol
CID 135260399
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56897766
(1-{[(6-Isopropylpyrimidin-4-YL)amino]methyl}cyclopentyl)methanol
CID 72894203
[1-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 75438010
(3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
CID 121360873
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(3-isopropoxypropyl)amine
CID 53192843
trans-(1S,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 97059008
cis-(1S,2R)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 97059009
cis-(1R,2S)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 97059010
trans-(1R,2R)-2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 97059011
trans-(1S,2S)-2-[(2R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 100685412
N-(3-ethoxycyclobutyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 102609299

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 71906577) is 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is CCc1ncnc(NCC2CCCC2O)c1F.
What is the InChIKey of 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is MEQYGDURGWSXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-9-11(13)12(16-7-15-9)14-6-8-4-3-5-10(8)17/h7-8,10,17H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 71906577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).