3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C12H19FN4O — CID 106137925

IUPAC3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1ncc(F)c(NCC2CCC(O)C2)n1
InChIInChI=1S/C12H19FN4O/c1-2-14-12-16-7-10(13)11(17-12)15-6-8-3-4-9(18)5-8/h7-9,18H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyVZHODIRBIVFKIK-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.62
Rot. Bonds5

About 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 106137925) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID106137925
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1ncc(F)c(NCC2CCC(O)C2)n1
InChIInChI=1S/C12H19FN4O/c1-2-14-12-16-7-10(13)11(17-12)15-6-8-3-4-9(18)5-8/h7-9,18H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyVZHODIRBIVFKIK-UHFFFAOYSA-N
XLogP1.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855633
2-N-ethyl-5-fluoro-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812414
4-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138848
3-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137969
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81046836
5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837054
2-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80777288
3-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138103
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 106137925) is 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CCNc1ncc(F)c(NCC2CCC(O)C2)n1.
What is the InChIKey of 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is VZHODIRBIVFKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-2-14-12-16-7-10(13)11(17-12)15-6-8-3-4-9(18)5-8/h7-9,18H,2-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 254.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106137925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).