2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride

C8H17ClN2O — CID 19812353

IUPAC2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride
SMILESCC(C)(C)C1=NCC(O)CN1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-8(2,3)7-9-4-6(11)5-10-7;/h6,11H,4-5H2,1-3H3,(H,9,10);1H
InChIKeyNXYOFWJCVFCOMO-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.82
Rot. Bonds

About 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride

2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride (PubChem CID 19812353) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride.

Molecular Properties

Compound Name2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride
PubChem CID19812353
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride
SMILESCC(C)(C)C1=NCC(O)CN1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-8(2,3)7-9-4-6(11)5-10-7;/h6,11H,4-5H2,1-3H3,(H,9,10);1H
InChIKeyNXYOFWJCVFCOMO-UHFFFAOYSA-N
XLogP0.82
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride?
The IUPAC name of 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride (CID 19812353) is 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride.
What is the SMILES notation for 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride?
The canonical SMILES for 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride is CC(C)(C)C1=NCC(O)CN1.Cl.
What is the InChIKey of 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride?
The InChIKey is NXYOFWJCVFCOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-8(2,3)7-9-4-6(11)5-10-7;/h6,11H,4-5H2,1-3H3,(H,9,10);1H.
What are the key properties of 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride?
2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrochloride is sourced from PubChem (CID 19812353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).