N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine

C14H18N4S — CID 80814491

IUPACN-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
SMILESCCNc1nccc(N2CCc3sccc3C2C)n1
InChIInChI=1S/C14H18N4S/c1-3-15-14-16-7-4-13(17-14)18-8-5-12-11(10(18)2)6-9-19-12/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,15,16,17)
InChIKeyNBFBWMQDCFPIDU-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.09
Rot. Bonds3

About N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine

N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine (PubChem CID 80814491) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
PubChem CID80814491
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
SMILESCCNc1nccc(N2CCc3sccc3C2C)n1
InChIInChI=1S/C14H18N4S/c1-3-15-14-16-7-4-13(17-14)18-8-5-12-11(10(18)2)6-9-19-12/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,15,16,17)
InChIKeyNBFBWMQDCFPIDU-UHFFFAOYSA-N
XLogP3.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine (CID 80814491) is N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine is CCNc1nccc(N2CCc3sccc3C2C)n1.
What is the InChIKey of N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
The InChIKey is NBFBWMQDCFPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-3-15-14-16-7-4-13(17-14)18-8-5-12-11(10(18)2)6-9-19-12/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine?
N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine has a molecular weight of 274.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 80814491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).