3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol

C19H24N6OS — CID 155553896

IUPAC3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol
SMILESNC(CCc1ccccc1)c1csc(Nc2cc(NCCCO)ncn2)n1
InChIInChI=1S/C19H24N6OS/c20-15(8-7-14-5-2-1-3-6-14)16-12-27-19(24-16)25-18-11-17(22-13-23-18)21-9-4-10-26/h1-3,5-6,11-13,15,26H,4,7-10,20H2,(H2,21,22,23,24,25)
InChIKeyLZPWYQABGPMMFC-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.10
Rot. Bonds10

About 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol

3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 155553896) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol
PubChem CID155553896
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol
SMILESNC(CCc1ccccc1)c1csc(Nc2cc(NCCCO)ncn2)n1
InChIInChI=1S/C19H24N6OS/c20-15(8-7-14-5-2-1-3-6-14)16-12-27-19(24-16)25-18-11-17(22-13-23-18)21-9-4-10-26/h1-3,5-6,11-13,15,26H,4,7-10,20H2,(H2,21,22,23,24,25)
InChIKeyLZPWYQABGPMMFC-UHFFFAOYSA-N
XLogP3.10
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-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 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol (CID 155553896) is 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol is NC(CCc1ccccc1)c1csc(Nc2cc(NCCCO)ncn2)n1.
What is the InChIKey of 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is LZPWYQABGPMMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c20-15(8-7-14-5-2-1-3-6-14)16-12-27-19(24-16)25-18-11-17(22-13-23-18)21-9-4-10-26/h1-3,5-6,11-13,15,26H,4,7-10,20H2,(H2,21,22,23,24,25).
What are the key properties of 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol?
3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 384.51 g/mol, XLogP of 3.10, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 155553896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).