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

C16H19N3OS — CID 83193245

IUPACN-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OC)c(C)c2)nc2c1CSC2
InChIInChI=1S/C16H19N3OS/c1-4-17-16-12-8-21-9-13(12)18-15(19-16)11-5-6-14(20-3)10(2)7-11/h5-7H,4,8-9H2,1-3H3,(H,17,18,19)
InChIKeyPHQXQDYXGOVZHN-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.64
Rot. Bonds4

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

N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83193245) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83193245
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(OC)c(C)c2)nc2c1CSC2
InChIInChI=1S/C16H19N3OS/c1-4-17-16-12-8-21-9-13(12)18-15(19-16)11-5-6-14(20-3)10(2)7-11/h5-7H,4,8-9H2,1-3H3,(H,17,18,19)
InChIKeyPHQXQDYXGOVZHN-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83193245) is N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(-c2ccc(OC)c(C)c2)nc2c1CSC2.
What is the InChIKey of N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is PHQXQDYXGOVZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-4-17-16-12-8-21-9-13(12)18-15(19-16)11-5-6-14(20-3)10(2)7-11/h5-7H,4,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83193245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).