2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C13H15N5S2 — CID 133403456

IUPAC2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2csc(NC)n2)c2ccsc2n1
InChIInChI=1S/C13H15N5S2/c1-3-10-17-11(9-4-5-19-12(9)18-10)15-6-8-7-20-13(14-2)16-8/h4-5,7H,3,6H2,1-2H3,(H,14,16)(H,15,17,18)
InChIKeyKMSFLPQEEBUARN-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.36
Rot. Bonds5

About 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133403456) has the molecular formula C13H15N5S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133403456
Molecular FormulaC13H15N5S2
Molecular Weight305.43 g/mol
Exact Mass305.08
IUPAC Name2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2csc(NC)n2)c2ccsc2n1
InChIInChI=1S/C13H15N5S2/c1-3-10-17-11(9-4-5-19-12(9)18-10)15-6-8-7-20-13(14-2)16-8/h4-5,7H,3,6H2,1-2H3,(H,14,16)(H,15,17,18)
InChIKeyKMSFLPQEEBUARN-UHFFFAOYSA-N
XLogP3.36
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133403780
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
2-ethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404042
2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 138046013
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404165
2-ethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403928
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133403079
5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide
CID 133403805
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 133418146

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133403456) is 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCc2csc(NC)n2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KMSFLPQEEBUARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S2/c1-3-10-17-11(9-4-5-19-12(9)18-10)15-6-8-7-20-13(14-2)16-8/h4-5,7H,3,6H2,1-2H3,(H,14,16)(H,15,17,18).
What are the key properties of 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133403456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).