2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol

C8H15N3O — CID 125422264

IUPAC2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESC=C(C)CNC1=NCC(O)CN1
InChIInChI=1S/C8H15N3O/c1-6(2)3-9-8-10-4-7(12)5-11-8/h7,12H,1,3-5H2,2H3,(H2,9,10,11)
InChIKeyRREUXXBEHYDDOV-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.53
Rot. Bonds2

About 2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol

2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 125422264) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID125422264
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESC=C(C)CNC1=NCC(O)CN1
InChIInChI=1S/C8H15N3O/c1-6(2)3-9-8-10-4-7(12)5-11-8/h7,12H,1,3-5H2,2H3,(H2,9,10,11)
InChIKeyRREUXXBEHYDDOV-UHFFFAOYSA-N
XLogP-0.53
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol (CID 125422264) is 2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol is C=C(C)CNC1=NCC(O)CN1.
What is the InChIKey of 2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is RREUXXBEHYDDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)3-9-8-10-4-7(12)5-11-8/h7,12H,1,3-5H2,2H3,(H2,9,10,11).
What are the key properties of 2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol?
2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 169.23 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 125422264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).