ethane;2-pyrimidin-2-ylpropan-2-ol

C9H16N2O — CID 143801448

IUPACethane;2-pyrimidin-2-ylpropan-2-ol
SMILESCC.CC(C)(O)c1ncccn1
InChIInChI=1S/C7H10N2O.C2H6/c1-7(2,10)6-8-4-3-5-9-6;1-2/h3-5,10H,1-2H3;1-2H3
InChIKeyDKCZTMUZPCNJEJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.73
Rot. Bonds1

About ethane;2-pyrimidin-2-ylpropan-2-ol

ethane;2-pyrimidin-2-ylpropan-2-ol (PubChem CID 143801448) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;2-pyrimidin-2-ylpropan-2-ol.

Molecular Properties

Compound Nameethane;2-pyrimidin-2-ylpropan-2-ol
PubChem CID143801448
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;2-pyrimidin-2-ylpropan-2-ol
SMILESCC.CC(C)(O)c1ncccn1
InChIInChI=1S/C7H10N2O.C2H6/c1-7(2,10)6-8-4-3-5-9-6;1-2/h3-5,10H,1-2H3;1-2H3
InChIKeyDKCZTMUZPCNJEJ-UHFFFAOYSA-N
XLogP1.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

lithium;2-tert-butylpyrimidine;bromide
CID 160712355
2-(4-chloropyrimidin-2-yl)propan-2-ol
CID 170730611
2-methyl-2-pyrimidin-2-ylpropanamide
CID 67050228
2-(2-methyl-3-pyridinyl)propan-2-ol
CID 45091732
2-(3-tert-butyl-2-pyridinyl)propan-2-ol
CID 166568505
tert-butyl 2,2-difluoro-2-pyrimidin-2-ylacetate
CID 135394874
CID 162723245
CID 162723245
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-ol
CID 116902086
ethane;pyrimidin-2-ylmethanol
CID 143639944
2-[5-(3-methylbutoxy)pyrimidin-2-yl]propan-2-ol
CID 168998496
2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-ol
CID 83384567

Frequently Asked Questions

What is the IUPAC name of ethane;2-pyrimidin-2-ylpropan-2-ol?
The IUPAC name of ethane;2-pyrimidin-2-ylpropan-2-ol (CID 143801448) is ethane;2-pyrimidin-2-ylpropan-2-ol.
What is the SMILES notation for ethane;2-pyrimidin-2-ylpropan-2-ol?
The canonical SMILES for ethane;2-pyrimidin-2-ylpropan-2-ol is CC.CC(C)(O)c1ncccn1.
What is the InChIKey of ethane;2-pyrimidin-2-ylpropan-2-ol?
The InChIKey is DKCZTMUZPCNJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-7(2,10)6-8-4-3-5-9-6;1-2/h3-5,10H,1-2H3;1-2H3.
What are the key properties of ethane;2-pyrimidin-2-ylpropan-2-ol?
ethane;2-pyrimidin-2-ylpropan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-pyrimidin-2-ylpropan-2-ol is sourced from PubChem (CID 143801448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).