N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine

C16H20N4OS — CID 133404165

IUPACN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2c(CC)noc2CC)c2ccsc2n1
InChIInChI=1S/C16H20N4OS/c1-4-12-11(13(5-2)21-20-12)9-17-15-10-7-8-22-16(10)19-14(6-3)18-15/h7-8H,4-6,9H2,1-3H3,(H,17,18,19)
InChIKeyKNHLCWFMSISMQA-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.98
Rot. Bonds6

About N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine

N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133404165) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133404165
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2c(CC)noc2CC)c2ccsc2n1
InChIInChI=1S/C16H20N4OS/c1-4-12-11(13(5-2)21-20-12)9-17-15-10-7-8-22-16(10)19-14(6-3)18-15/h7-8H,4-6,9H2,1-3H3,(H,17,18,19)
InChIKeyKNHLCWFMSISMQA-UHFFFAOYSA-N
XLogP3.98
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
5-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carboxamide
CID 133403805
2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403456
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133403780
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
2-ethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403928
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
1-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-thiophen-3-ylpropan-2-ol
CID 133403079
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404655

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine (CID 133404165) is N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCc2c(CC)noc2CC)c2ccsc2n1.
What is the InChIKey of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KNHLCWFMSISMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-4-12-11(13(5-2)21-20-12)9-17-15-10-7-8-22-16(10)19-14(6-3)18-15/h7-8H,4-6,9H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine?
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 316.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133404165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).