2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol

C14H21N5OS — CID 106436486

IUPAC2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESCCCc1nc(NN)c(C)c(NCC(O)c2ccsc2)n1
InChIInChI=1S/C14H21N5OS/c1-3-4-12-17-13(9(2)14(18-12)19-15)16-7-11(20)10-5-6-21-8-10/h5-6,8,11,20H,3-4,7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyRXUCKEBURQNSRR-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.23
Rot. Bonds7

About 2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol

2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (PubChem CID 106436486) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
PubChem CID106436486
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESCCCc1nc(NN)c(C)c(NCC(O)c2ccsc2)n1
InChIInChI=1S/C14H21N5OS/c1-3-4-12-17-13(9(2)14(18-12)19-15)16-7-11(20)10-5-6-21-8-10/h5-6,8,11,20H,3-4,7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyRXUCKEBURQNSRR-UHFFFAOYSA-N
XLogP2.23
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (CID 106436486) is 2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is CCCc1nc(NN)c(C)c(NCC(O)c2ccsc2)n1.
What is the InChIKey of 2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The InChIKey is RXUCKEBURQNSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-3-4-12-17-13(9(2)14(18-12)19-15)16-7-11(20)10-5-6-21-8-10/h5-6,8,11,20H,3-4,7,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol has a molecular weight of 307.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106436486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).