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

C12H19FN4O — CID 80842338

IUPAC1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1ncc(F)c(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H19FN4O/c1-2-14-11-15-7-9(13)10(17-11)16-8-12(18)5-3-4-6-12/h7,18H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyDSIPFCMGAYUTBX-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.76
Rot. Bonds5

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

1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 80842338) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID80842338
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1ncc(F)c(NCC2(O)CCCC2)n1
InChIInChI=1S/C12H19FN4O/c1-2-14-11-15-7-9(13)10(17-11)16-8-12(18)5-3-4-6-12/h7,18H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyDSIPFCMGAYUTBX-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80842915
1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842921
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143772
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79075802
4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80843418
1-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826151
5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80846627
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-fluoropyrimidine-2,4-diamine
CID 80840287
1-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80828340
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
2-ethyl-2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propane-1,3-diol
CID 114011060
4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 80842338) is 1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CCNc1ncc(F)c(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is DSIPFCMGAYUTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-2-14-11-15-7-9(13)10(17-11)16-8-12(18)5-3-4-6-12/h7,18H,2-6,8H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 254.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 80842338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).