2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine

C18H21N3S — CID 137431957

IUPAC2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCCc2ccccc2)c2cc(C)sc2n1
InChIInChI=1S/C18H21N3S/c1-3-16-20-17(15-12-13(2)22-18(15)21-16)19-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyJMFHPUKSQVURSF-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.61
Rot. Bonds6

About 2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine

2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 137431957) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID137431957
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCCCc2ccccc2)c2cc(C)sc2n1
InChIInChI=1S/C18H21N3S/c1-3-16-20-17(15-12-13(2)22-18(15)21-16)19-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyJMFHPUKSQVURSF-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ddp-225
CID 6918194
4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
2,7-Dimethyl-4-(piperazin-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
CID 3207225
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
hGGPPS-IN-1
CID 71583205
({[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}methanediyl)bis(Phosphonic Acid)
CID 71583208
[(1S)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
CID 90185749
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 137431957) is 2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCCCc2ccccc2)c2cc(C)sc2n1.
What is the InChIKey of 2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JMFHPUKSQVURSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-3-16-20-17(15-12-13(2)22-18(15)21-16)19-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 137431957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).