1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol

C11H18FN3O — CID 103880216

IUPAC1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
SMILESCCc1ncnc(NCC(O)C(C)C)c1F
InChIInChI=1S/C11H18FN3O/c1-4-8-10(12)11(15-6-14-8)13-5-9(16)7(2)3/h6-7,9,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyYEXMEKUCARTICA-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.61
Rot. Bonds5

About 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol

1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol (PubChem CID 103880216) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
PubChem CID103880216
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
SMILESCCc1ncnc(NCC(O)C(C)C)c1F
InChIInChI=1S/C11H18FN3O/c1-4-8-10(12)11(15-6-14-8)13-5-9(16)7(2)3/h6-7,9,16H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyYEXMEKUCARTICA-UHFFFAOYSA-N
XLogP1.61
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol
CID 133420036
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121
6-ethyl-5-fluoro-N-(3-methyl-2-pyridin-3-ylbutyl)pyrimidin-4-amine
CID 133419084
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061059
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
N-[(4-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045737
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388
N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045871

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol (CID 103880216) is 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol is CCc1ncnc(NCC(O)C(C)C)c1F.
What is the InChIKey of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol?
The InChIKey is YEXMEKUCARTICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-4-8-10(12)11(15-6-14-8)13-5-9(16)7(2)3/h6-7,9,16H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol?
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 103880216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).