[4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol

C9H14FN3O — CID 131160481

IUPAC[4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol
SMILESCc1cc(N[C@@H](C)CF)nc(CO)n1
InChIInChI=1S/C9H14FN3O/c1-6-3-8(12-7(2)4-10)13-9(5-14)11-6/h3,7,14H,4-5H2,1-2H3,(H,11,12,13)/t7-/m0/s1
InChIKeyWPHIKNLROCHPED-ZETCQYMHSA-N
MW199.23 g/mol
LogP1.05
Rot. Bonds4

About [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol

[4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol (PubChem CID 131160481) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol
PubChem CID131160481
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name[4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol
SMILESCc1cc(N[C@@H](C)CF)nc(CO)n1
InChIInChI=1S/C9H14FN3O/c1-6-3-8(12-7(2)4-10)13-9(5-14)11-6/h3,7,14H,4-5H2,1-2H3,(H,11,12,13)/t7-/m0/s1
InChIKeyWPHIKNLROCHPED-ZETCQYMHSA-N
XLogP1.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol with MolForge

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Related Compounds

[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]methanol
CID 130917983
6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 113461550
4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol
CID 115976030
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
(2S)-2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 120964503
6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 43419817
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
[4-methyl-6-[[2-(methylamino)-4-pyridinyl]methylamino]pyrimidin-2-yl]methanol
CID 138019403
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113240528
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol?
The IUPAC name of [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol (CID 131160481) is [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol?
The canonical SMILES for [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol is Cc1cc(N[C@@H](C)CF)nc(CO)n1.
What is the InChIKey of [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol?
The InChIKey is WPHIKNLROCHPED-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-6-3-8(12-7(2)4-10)13-9(5-14)11-6/h3,7,14H,4-5H2,1-2H3,(H,11,12,13)/t7-/m0/s1.
What are the key properties of [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol?
[4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol has a molecular weight of 199.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-1-fluoropropan-2-yl]amino]-6-methylpyrimidin-2-yl]methanol is sourced from PubChem (CID 131160481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).