N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C16H19N3S — CID 83191304

IUPACN-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(C)c2)nc2c1CSC2
InChIInChI=1S/C16H19N3S/c1-3-17-16-13-9-20-10-14(13)18-15(19-16)8-12-6-4-5-11(2)7-12/h4-7H,3,8-10H2,1-2H3,(H,17,18,19)
InChIKeyBMLUSIFSUBJKQP-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.55
Rot. Bonds4

About N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191304) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191304
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccc(C)c2)nc2c1CSC2
InChIInChI=1S/C16H19N3S/c1-3-17-16-13-9-20-10-14(13)18-15(19-16)8-12-6-4-5-11(2)7-12/h4-7H,3,8-10H2,1-2H3,(H,17,18,19)
InChIKeyBMLUSIFSUBJKQP-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)methyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190335
N-ethyl-2-[(3-methoxyphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193116
4-chloro-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196977
2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190571
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306756
N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189907
2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191211
2-(2,5-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190692
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66303082
N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191494
2-[(3,4-dimethylphenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63487302

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191304) is N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(Cc2cccc(C)c2)nc2c1CSC2.
What is the InChIKey of N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is BMLUSIFSUBJKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-17-16-13-9-20-10-14(13)18-15(19-16)8-12-6-4-5-11(2)7-12/h4-7H,3,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 285.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).