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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Related Compounds

6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 81001135
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436324
1-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 81006767
6-hydrazinyl-5-methyl-N-(2-methylbutyl)-2-propylpyrimidin-4-amine
CID 81006405
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 133418146
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 81007066
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436527
6-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985045
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
6-hydrazinyl-5-methyl-N-(1,2-oxazol-5-ylmethyl)-2-propylpyrimidin-4-amine
CID 106424779
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277

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).