(3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol

C11H18N2O2 — CID 58468891

IUPAC(3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol
SMILESCC(C)[C@H](Oc1ncccn1)C(C)(C)O
InChIInChI=1S/C11H18N2O2/c1-8(2)9(11(3,4)14)15-10-12-6-5-7-13-10/h5-9,14H,1-4H3/t9-/m0/s1
InChIKeyDQLNRWYDBUJTHY-VIFPVBQESA-N
MW210.28 g/mol
LogP1.65
Rot. Bonds4

About (3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol

(3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol (PubChem CID 58468891) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol.

Molecular Properties

Compound Name(3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol
PubChem CID58468891
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol
SMILESCC(C)[C@H](Oc1ncccn1)C(C)(C)O
InChIInChI=1S/C11H18N2O2/c1-8(2)9(11(3,4)14)15-10-12-6-5-7-13-10/h5-9,14H,1-4H3/t9-/m0/s1
InChIKeyDQLNRWYDBUJTHY-VIFPVBQESA-N
XLogP1.65
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-propan-2-yloxypyrimidine
CID 159788973
2-(1,1-difluoro-2-methylpropoxy)pyrimidine
CID 57294335
tert-butyl-dimethyl-pyrimidin-2-yloxysilane
CID 90318512
2-(trifluoromethoxy)pyrimidine
CID 23221705
ethane;2-pyrimidin-2-ylpropan-2-ol
CID 143801448
(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
CID 162467836
2-methyl-1-pyrimidin-2-yloxypropan-2-amine
CID 64536005
(3S)-2,4-dimethyl-3-propoxypentan-2-ol
CID 58469720
2-(7-methylnonan-4-yloxy)pyrimidine
CID 57042354
(1-methoxy-1-pyridin-2-ylethyl)-propan-2-yldiazene
CID 21387217
3-[(2-chloro-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 65338181
3-[(3-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130892998

Frequently Asked Questions

What is the IUPAC name of (3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol?
The IUPAC name of (3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol (CID 58468891) is (3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol.
What is the SMILES notation for (3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol?
The canonical SMILES for (3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol is CC(C)[C@H](Oc1ncccn1)C(C)(C)O.
What is the InChIKey of (3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol?
The InChIKey is DQLNRWYDBUJTHY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)9(11(3,4)14)15-10-12-6-5-7-13-10/h5-9,14H,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol?
(3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,4-dimethyl-3-pyrimidin-2-yloxypentan-2-ol is sourced from PubChem (CID 58468891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).