5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

C12H20FN3O — CID 103896010

IUPAC5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCc1ncnc(NCC(C)(C)CCCO)c1F
InChIInChI=1S/C12H20FN3O/c1-9-10(13)11(16-8-15-9)14-7-12(2,3)5-4-6-17/h8,17H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyXJMPPXWSOGLLML-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.13
Rot. Bonds6

About 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 103896010) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID103896010
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCc1ncnc(NCC(C)(C)CCCO)c1F
InChIInChI=1S/C12H20FN3O/c1-9-10(13)11(16-8-15-9)14-7-12(2,3)5-4-6-17/h8,17H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyXJMPPXWSOGLLML-UHFFFAOYSA-N
XLogP2.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141264
5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106149949
5-[(6-amino-3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106149965
5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114150408
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106150078
3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 103748507
5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 103895914
N-(2-bromoprop-2-enyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103634964
4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149781
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
CID 106148798
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149754
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106238678

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 103896010) is 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is Cc1ncnc(NCC(C)(C)CCCO)c1F.
What is the InChIKey of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is XJMPPXWSOGLLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-9-10(13)11(16-8-15-9)14-7-12(2,3)5-4-6-17/h8,17H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103896010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).