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

C16H19N3OS — CID 83193532

IUPACN-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCOc1cccc(-c2nc3c(c(NC)n2)CSC3)c1
InChIInChI=1S/C16H19N3OS/c1-3-7-20-12-6-4-5-11(8-12)15-18-14-10-21-9-13(14)16(17-2)19-15/h4-6,8H,3,7,9-10H2,1-2H3,(H,17,18,19)
InChIKeyJXYNPCBYFOYOIL-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.72
Rot. Bonds5

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

N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83193532) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83193532
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCOc1cccc(-c2nc3c(c(NC)n2)CSC3)c1
InChIInChI=1S/C16H19N3OS/c1-3-7-20-12-6-4-5-11(8-12)15-18-14-10-21-9-13(14)16(17-2)19-15/h4-6,8H,3,7,9-10H2,1-2H3,(H,17,18,19)
InChIKeyJXYNPCBYFOYOIL-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296662
N,6-dimethyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 62499474
2-(3-ethoxyphenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472247
2-(3-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62500115
N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62496442
2-(5-ethylfuran-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201340
5-iodo-6-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296695
[6-cyclopropyl-2-(3-propoxyphenyl)pyrimidin-4-yl]hydrazine
CID 63354426
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 105410512
N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193245
ethyl 3-(3-propoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381918

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83193532) is N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCOc1cccc(-c2nc3c(c(NC)n2)CSC3)c1.
What is the InChIKey of N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is JXYNPCBYFOYOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-7-20-12-6-4-5-11(8-12)15-18-14-10-21-9-13(14)16(17-2)19-15/h4-6,8H,3,7,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-propoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83193532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).