methanol;1,2,3,4-tetrahydropyrimidine

C5H12N2O — CID 89414303

IUPACmethanol;1,2,3,4-tetrahydropyrimidine
SMILESC1=CNCNC1.CO
InChIInChI=1S/C4H8N2.CH4O/c1-2-5-4-6-3-1;1-2/h1-2,5-6H,3-4H2;2H,1H3
InChIKeyAVZNLOFUZIREII-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.74
Rot. Bonds

About methanol;1,2,3,4-tetrahydropyrimidine

methanol;1,2,3,4-tetrahydropyrimidine (PubChem CID 89414303) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is methanol;1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Namemethanol;1,2,3,4-tetrahydropyrimidine
PubChem CID89414303
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Namemethanol;1,2,3,4-tetrahydropyrimidine
SMILESC1=CNCNC1.CO
InChIInChI=1S/C4H8N2.CH4O/c1-2-5-4-6-3-1;1-2/h1-2,5-6H,3-4H2;2H,1H3
InChIKeyAVZNLOFUZIREII-UHFFFAOYSA-N
XLogP-0.74
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanol;1,2,3,4-tetrahydropyrimidine?
The IUPAC name of methanol;1,2,3,4-tetrahydropyrimidine (CID 89414303) is methanol;1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for methanol;1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for methanol;1,2,3,4-tetrahydropyrimidine is C1=CNCNC1.CO.
What is the InChIKey of methanol;1,2,3,4-tetrahydropyrimidine?
The InChIKey is AVZNLOFUZIREII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.CH4O/c1-2-5-4-6-3-1;1-2/h1-2,5-6H,3-4H2;2H,1H3.
What are the key properties of methanol;1,2,3,4-tetrahydropyrimidine?
methanol;1,2,3,4-tetrahydropyrimidine has a molecular weight of 116.16 g/mol, XLogP of -0.74, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 89414303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).