2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C19H25N3OS — CID 166120126

IUPAC2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCCC2C=CC(OC)=CC2)c2cc(C)sc2n1
InChIInChI=1S/C19H25N3OS/c1-4-17-21-18(16-12-13(2)24-19(16)22-17)20-11-5-6-14-7-9-15(23-3)10-8-14/h7,9-10,12,14H,4-6,8,11H2,1-3H3,(H,20,21,22)
InChIKeyDQHOVXWDQBEUNW-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.86
Rot. Bonds7

About 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166120126) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166120126
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCCC2C=CC(OC)=CC2)c2cc(C)sc2n1
InChIInChI=1S/C19H25N3OS/c1-4-17-21-18(16-12-13(2)24-19(16)22-17)20-11-5-6-14-7-9-15(23-3)10-8-14/h7,9-10,12,14H,4-6,8,11H2,1-3H3,(H,20,21,22)
InChIKeyDQHOVXWDQBEUNW-UHFFFAOYSA-N
XLogP4.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-ethenoxypropyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783159
2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 137431957
2-((6-Ethylthieno[2,3-d]pyrimidin-4-yl)amino)ethanol
CID 648537
N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 2608301
6-methyl-N-phenethylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 2974702
N-butyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 50946929
2-methyl-N-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
CID 704080
N-ethyl-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2459648
N-(2-methoxyethyl)-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2571790
N-[(4-fluorophenyl)methyl]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 4088848
N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 6460630
(6-Ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)-(tetrahydro-furan-2-ylmethyl)-amine
CID 9549432

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 166120126) is 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCCCC2C=CC(OC)=CC2)c2cc(C)sc2n1.
What is the InChIKey of 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DQHOVXWDQBEUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-4-17-21-18(16-12-13(2)24-19(16)22-17)20-11-5-6-14-7-9-15(23-3)10-8-14/h7,9-10,12,14H,4-6,8,11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 343.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166120126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).