(2-propan-2-ylpyrimidin-5-yl)methanediol

C8H12N2O2 — CID 174297628

IUPAC(2-propan-2-ylpyrimidin-5-yl)methanediol
SMILESCC(C)c1ncc(C(O)O)cn1
InChIInChI=1S/C8H12N2O2/c1-5(2)7-9-3-6(4-10-7)8(11)12/h3-5,8,11-12H,1-2H3
InChIKeyQTZPGAKMILBPHY-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.58
Rot. Bonds2

About (2-propan-2-ylpyrimidin-5-yl)methanediol

(2-propan-2-ylpyrimidin-5-yl)methanediol (PubChem CID 174297628) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2-propan-2-ylpyrimidin-5-yl)methanediol.

Molecular Properties

Compound Name(2-propan-2-ylpyrimidin-5-yl)methanediol
PubChem CID174297628
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2-propan-2-ylpyrimidin-5-yl)methanediol
SMILESCC(C)c1ncc(C(O)O)cn1
InChIInChI=1S/C8H12N2O2/c1-5(2)7-9-3-6(4-10-7)8(11)12/h3-5,8,11-12H,1-2H3
InChIKeyQTZPGAKMILBPHY-UHFFFAOYSA-N
XLogP0.58
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine
CID 176649770
2-propan-2-ylpyrimidine-5-thiol
CID 149236616
5-ethyl-2-propan-2-ylpyrimidine
CID 58333368
5-(fluoromethyl)-2-propan-2-ylpyrimidine
CID 121401170
2-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 18342612
1,1-difluoro-2-(2-propan-2-ylpyrimidin-5-yl)propan-2-ol
CID 176649785
3-(2-propan-2-ylpyrimidin-5-yl)oxypropan-1-amine
CID 117229894
N-hydroxy-2-(2-propan-2-ylpyrimidin-5-yl)acetamide
CID 58703313
1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);ethane
CID 158024668
6-methyl-3-propan-2-yl-1,2,4-triazine
CID 58126762
3,6-di(propan-2-yl)-1,8-naphthyridine
CID 166719717
fluoromethane;2-propan-2-ylpyrimidine
CID 161216719

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylpyrimidin-5-yl)methanediol?
The IUPAC name of (2-propan-2-ylpyrimidin-5-yl)methanediol (CID 174297628) is (2-propan-2-ylpyrimidin-5-yl)methanediol.
What is the SMILES notation for (2-propan-2-ylpyrimidin-5-yl)methanediol?
The canonical SMILES for (2-propan-2-ylpyrimidin-5-yl)methanediol is CC(C)c1ncc(C(O)O)cn1.
What is the InChIKey of (2-propan-2-ylpyrimidin-5-yl)methanediol?
The InChIKey is QTZPGAKMILBPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)7-9-3-6(4-10-7)8(11)12/h3-5,8,11-12H,1-2H3.
What are the key properties of (2-propan-2-ylpyrimidin-5-yl)methanediol?
(2-propan-2-ylpyrimidin-5-yl)methanediol has a molecular weight of 168.20 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylpyrimidin-5-yl)methanediol is sourced from PubChem (CID 174297628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).