3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol

C10H16FN3O — CID 106178744

IUPAC3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(F)ncn1
InChIInChI=1S/C10H16FN3O/c1-3-10(2,4-5-15)14-9-6-8(11)12-7-13-9/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyOMHHDDBTRUQCDW-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.58
Rot. Bonds5

About 3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol

3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol (PubChem CID 106178744) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
PubChem CID106178744
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1cc(F)ncn1
InChIInChI=1S/C10H16FN3O/c1-3-10(2,4-5-15)14-9-6-8(11)12-7-13-9/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyOMHHDDBTRUQCDW-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178733
2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 115416506
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
N-tert-butyl-6-fluoropyrimidin-4-amine
CID 115416300
2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 64558196
2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 64550559
3-methyl-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pentan-1-ol
CID 106179091
3-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106179204
3-[(6-methoxy-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171463
3-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 106171147
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179255
3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol (CID 106178744) is 3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1cc(F)ncn1.
What is the InChIKey of 3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol?
The InChIKey is OMHHDDBTRUQCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-3-10(2,4-5-15)14-9-6-8(11)12-7-13-9/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol?
3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol has a molecular weight of 213.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106178744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).