3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol

C7H15N3O — CID 123417636

IUPAC3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol
SMILESOCCCNC1=NCCCN1
InChIInChI=1S/C7H15N3O/c11-6-2-5-10-7-8-3-1-4-9-7/h11H,1-6H2,(H2,8,9,10)
InChIKeyAUHNJIFRYBYDLM-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.69
Rot. Bonds3

About 3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol

3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol (PubChem CID 123417636) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol
PubChem CID123417636
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol
SMILESOCCCNC1=NCCCN1
InChIInChI=1S/C7H15N3O/c11-6-2-5-10-7-8-3-1-4-9-7/h11H,1-6H2,(H2,8,9,10)
InChIKeyAUHNJIFRYBYDLM-UHFFFAOYSA-N
XLogP-0.69
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol?
The IUPAC name of 3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol (CID 123417636) is 3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol is OCCCNC1=NCCCN1.
What is the InChIKey of 3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol?
The InChIKey is AUHNJIFRYBYDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c11-6-2-5-10-7-8-3-1-4-9-7/h11H,1-6H2,(H2,8,9,10).
What are the key properties of 3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol?
3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol has a molecular weight of 157.22 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol is sourced from PubChem (CID 123417636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).