(1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol

C12H20N2O — CID 10130500

IUPAC(1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1cnc(C(C)(C)C)nc1
InChIInChI=1S/C12H20N2O/c1-8(2)10(15)9-6-13-11(14-7-9)12(3,4)5/h6-8,10,15H,1-5H3/t10-/m0/s1
InChIKeyLWCLATOMXPXSPD-JTQLQIEISA-N
MW208.30 g/mol
LogP2.46
Rot. Bonds2

About (1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol

(1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol (PubChem CID 10130500) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol
PubChem CID10130500
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1cnc(C(C)(C)C)nc1
InChIInChI=1S/C12H20N2O/c1-8(2)10(15)9-6-13-11(14-7-9)12(3,4)5/h6-8,10,15H,1-5H3/t10-/m0/s1
InChIKeyLWCLATOMXPXSPD-JTQLQIEISA-N
XLogP2.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-tert-butylpyrimidin-5-yl)-3-methylbutanoic acid
CID 70419075
(1R)-1-[2-[(Z)-3,3-dimethylbut-1-enyl]pyrimidin-5-yl]-2-methylpropan-1-ol
CID 102210149
2-tert-butyl-5-methylpyrimidine
CID 160929079
2-(2-tert-butylpyrimidin-5-yl)-4-hydroxy-3,3-dimethylbutanoic acid
CID 70414050
2-tert-butyl-5-fluoropyrimidine
CID 22958265
1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 97215845
(1R)-2-methyl-1-(5,6,7,8-tetrahydroquinolin-3-yl)propan-1-ol
CID 124843658
(1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol
CID 11335596
2-methyl-1-(4-sulfanylphenyl)propan-1-ol
CID 123891512
(1S)-1-[7-(3,3-dimethylbut-1-ynyl)quinolin-3-yl]-2-methylpropan-1-ol
CID 102333212
3-methyl-2-[2-(2-methylbutan-2-yl)pyrimidin-5-yl]butanoate
CID 21298143
2-tert-butyl-5-(difluoromethoxy)pyrimidine
CID 58088060

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol (CID 10130500) is (1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol is CC(C)[C@H](O)c1cnc(C(C)(C)C)nc1.
What is the InChIKey of (1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol?
The InChIKey is LWCLATOMXPXSPD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)10(15)9-6-13-11(14-7-9)12(3,4)5/h6-8,10,15H,1-5H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol?
(1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-tert-butylpyrimidin-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 10130500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).