1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine

C9H18N2O — CID 15517000

IUPAC1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine
SMILESCC1=NC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C9H18N2O/c1-7-6-8(2,3)11(12)9(4,5)10-7/h12H,6H2,1-5H3
InChIKeyJRGCKMZUGOWOJJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP2.06
Rot. Bonds

About 1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine

1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine (PubChem CID 15517000) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine.

Molecular Properties

Compound Name1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine
PubChem CID15517000
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine
SMILESCC1=NC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C9H18N2O/c1-7-6-8(2,3)11(12)9(4,5)10-7/h12H,6H2,1-5H3
InChIKeyJRGCKMZUGOWOJJ-UHFFFAOYSA-N
XLogP2.06
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine?
The IUPAC name of 1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine (CID 15517000) is 1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine.
What is the SMILES notation for 1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine?
The canonical SMILES for 1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine is CC1=NC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine?
The InChIKey is JRGCKMZUGOWOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-6-8(2,3)11(12)9(4,5)10-7/h12H,6H2,1-5H3.
What are the key properties of 1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine?
1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine has a molecular weight of 170.26 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,4,6,6-pentamethyl-5H-pyrimidine is sourced from PubChem (CID 15517000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).