(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol

C15H17N3O2 — CID 133337888

IUPAC(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C15H17N3O2/c1-9(2)11(7-19)18-15-14-13(16-8-17-15)10-5-3-4-6-12(10)20-14/h3-6,8-9,11,19H,7H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyICRNWCDRCNVIKI-LLVKDONJSA-N
MW271.32 g/mol
LogP2.80
Rot. Bonds4

About (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol

(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol (PubChem CID 133337888) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol
PubChem CID133337888
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C15H17N3O2/c1-9(2)11(7-19)18-15-14-13(16-8-17-15)10-5-3-4-6-12(10)20-14/h3-6,8-9,11,19H,7H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyICRNWCDRCNVIKI-LLVKDONJSA-N
XLogP2.80
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-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 (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol (CID 133337888) is (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1ncnc2c1oc1ccccc12.
What is the InChIKey of (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol?
The InChIKey is ICRNWCDRCNVIKI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9(2)11(7-19)18-15-14-13(16-8-17-15)10-5-3-4-6-12(10)20-14/h3-6,8-9,11,19H,7H2,1-2H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol?
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol has a molecular weight of 271.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 133337888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).