(2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol

C8H17N3O — CID 130685314

IUPAC(2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol
SMILESCC[C@H](CO)NC1=NCCCN1
InChIInChI=1S/C8H17N3O/c1-2-7(6-12)11-8-9-4-3-5-10-8/h7,12H,2-6H2,1H3,(H2,9,10,11)/t7-/m1/s1
InChIKeyRQTJDFZEDZKIOB-SSDOTTSWSA-N
MW171.24 g/mol
LogP-0.30
Rot. Bonds3

About (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol

(2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol (PubChem CID 130685314) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol
PubChem CID130685314
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name(2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol
SMILESCC[C@H](CO)NC1=NCCCN1
InChIInChI=1S/C8H17N3O/c1-2-7(6-12)11-8-9-4-3-5-10-8/h7,12H,2-6H2,1H3,(H2,9,10,11)/t7-/m1/s1
InChIKeyRQTJDFZEDZKIOB-SSDOTTSWSA-N
XLogP-0.30
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol?
The IUPAC name of (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol (CID 130685314) is (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol is CC[C@H](CO)NC1=NCCCN1.
What is the InChIKey of (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol?
The InChIKey is RQTJDFZEDZKIOB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-7(6-12)11-8-9-4-3-5-10-8/h7,12H,2-6H2,1H3,(H2,9,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol?
(2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol has a molecular weight of 171.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol is sourced from PubChem (CID 130685314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).