1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol

C12H21FN4O2 — CID 106258036

IUPAC1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
SMILESCCNc1ncc(F)c(NCC(C)(O)CCOC)n1
InChIInChI=1S/C12H21FN4O2/c1-4-14-11-15-7-9(13)10(17-11)16-8-12(2,18)5-6-19-3/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyLNZIDVLEMVWWSF-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.25
Rot. Bonds8

About 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol

1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106258036) has the molecular formula C12H21FN4O2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106258036
Molecular FormulaC12H21FN4O2
Molecular Weight272.32 g/mol
Exact Mass272.16
IUPAC Name1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
SMILESCCNc1ncc(F)c(NCC(C)(O)CCOC)n1
InChIInChI=1S/C12H21FN4O2/c1-4-14-11-15-7-9(13)10(17-11)16-8-12(2,18)5-6-19-3/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17)
InChIKeyLNZIDVLEMVWWSF-UHFFFAOYSA-N
XLogP1.25
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366489
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80842696
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106253455
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106296405
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-fluoropyrimidine-2,4-diamine
CID 80840287
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
4-methoxy-2-methyl-1-[(3-methylpyrazin-2-yl)amino]butan-2-ol
CID 106253528
2-ethyl-2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propane-1,3-diol
CID 114011060
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150361
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol (CID 106258036) is 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol is CCNc1ncc(F)c(NCC(C)(O)CCOC)n1.
What is the InChIKey of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is LNZIDVLEMVWWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4O2/c1-4-14-11-15-7-9(13)10(17-11)16-8-12(2,18)5-6-19-3/h7,18H,4-6,8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol?
1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 272.32 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106258036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).