2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol

C11H19N3O — CID 125422242

IUPAC2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(NC[C@H]2CC=CCC2)NC1
InChIInChI=1S/C11H19N3O/c15-10-7-13-11(14-8-10)12-6-9-4-2-1-3-5-9/h1-2,9-10,15H,3-8H2,(H2,12,13,14)/t9-/m0/s1
InChIKeyDNNCICJMWPUCRJ-VIFPVBQESA-N
MW209.29 g/mol
LogP0.25
Rot. Bonds2

About 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol

2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 125422242) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID125422242
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(NC[C@H]2CC=CCC2)NC1
InChIInChI=1S/C11H19N3O/c15-10-7-13-11(14-8-10)12-6-9-4-2-1-3-5-9/h1-2,9-10,15H,3-8H2,(H2,12,13,14)/t9-/m0/s1
InChIKeyDNNCICJMWPUCRJ-VIFPVBQESA-N
XLogP0.25
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.25
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-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol (CID 125422242) is 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol is OC1CN=C(NC[C@H]2CC=CCC2)NC1.
What is the InChIKey of 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is DNNCICJMWPUCRJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O/c15-10-7-13-11(14-8-10)12-6-9-4-2-1-3-5-9/h1-2,9-10,15H,3-8H2,(H2,12,13,14)/t9-/m0/s1.
What are the key properties of 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol?
2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 209.29 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 125422242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).