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

C10H16FN3O — CID 103867388

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
SMILESCCc1ncnc(NC(CC)CO)c1F
InChIInChI=1S/C10H16FN3O/c1-3-7(5-15)14-10-9(11)8(4-2)12-6-13-10/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyBUUOHDJNCSSAEN-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.36
Rot. Bonds5

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

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol (PubChem CID 103867388) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
PubChem CID103867388
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
SMILESCCc1ncnc(NC(CC)CO)c1F
InChIInChI=1S/C10H16FN3O/c1-3-7(5-15)14-10-9(11)8(4-2)12-6-13-10/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyBUUOHDJNCSSAEN-UHFFFAOYSA-N
XLogP1.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanamide
CID 113344286
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 173320300
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
[1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopropyl]methanol
CID 103880437
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103880216
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 113344426
2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 22024679
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842162

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol (CID 103867388) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol is CCc1ncnc(NC(CC)CO)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is BUUOHDJNCSSAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-3-7(5-15)14-10-9(11)8(4-2)12-6-13-10/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 213.26 g/mol, XLogP of 1.36, 5 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]butan-1-ol is sourced from PubChem (CID 103867388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).