2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

C13H18N4OS — CID 106436437

IUPAC2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCCCNc1nccc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C13H18N4OS/c1-2-5-14-13-15-6-3-12(17-13)16-8-11(18)10-4-7-19-9-10/h3-4,6-7,9,11,18H,2,5,8H2,1H3,(H2,14,15,16,17)
InChIKeyQBZYJWADUVRRLQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.51
Rot. Bonds7

About 2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol

2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 106436437) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
PubChem CID106436437
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
SMILESCCCNc1nccc(NCC(O)c2ccsc2)n1
InChIInChI=1S/C13H18N4OS/c1-2-5-14-13-15-6-3-12(17-13)16-8-11(18)10-4-7-19-9-10/h3-4,6-7,9,11,18H,2,5,8H2,1H3,(H2,14,15,16,17)
InChIKeyQBZYJWADUVRRLQ-UHFFFAOYSA-N
XLogP2.51
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159619
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106434587
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 113412276
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]pyridine-4-carboxylic acid
CID 106435556
4-N-[(4-methylthiophen-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80855068

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol (CID 106436437) is 2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is CCCNc1nccc(NCC(O)c2ccsc2)n1.
What is the InChIKey of 2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is QBZYJWADUVRRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-5-14-13-15-6-3-12(17-13)16-8-11(18)10-4-7-19-9-10/h3-4,6-7,9,11,18H,2,5,8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol?
2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 278.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(propylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106436437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).