4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine

C11H15N5OS — CID 50985340

IUPAC4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine
SMILESCOc1cc(NCCCc2csc(N)n2)ncn1
InChIInChI=1S/C11H15N5OS/c1-17-10-5-9(14-7-15-10)13-4-2-3-8-6-18-11(12)16-8/h5-7H,2-4H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyDOQMOXSHFMPSJW-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.57
Rot. Bonds6

About 4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine

4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine (PubChem CID 50985340) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine
PubChem CID50985340
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine
SMILESCOc1cc(NCCCc2csc(N)n2)ncn1
InChIInChI=1S/C11H15N5OS/c1-17-10-5-9(14-7-15-10)13-4-2-3-8-6-18-11(12)16-8/h5-7H,2-4H2,1H3,(H2,12,16)(H,13,14,15)
InChIKeyDOQMOXSHFMPSJW-UHFFFAOYSA-N
XLogP1.57
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine (CID 50985340) is 4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine is COc1cc(NCCCc2csc(N)n2)ncn1.
What is the InChIKey of 4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
The InChIKey is DOQMOXSHFMPSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-17-10-5-9(14-7-15-10)13-4-2-3-8-6-18-11(12)16-8/h5-7H,2-4H2,1H3,(H2,12,16)(H,13,14,15).
What are the key properties of 4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine has a molecular weight of 265.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 50985340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).