N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine

C12H15N3S — CID 133404236

IUPACN-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESC=CC(C)Nc1nc(CC)nc2sccc12
InChIInChI=1S/C12H15N3S/c1-4-8(3)13-11-9-6-7-16-12(9)15-10(5-2)14-11/h4,6-8H,1,5H2,2-3H3,(H,13,14,15)
InChIKeyDVVYNMXHXCKMED-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.24
Rot. Bonds4

About N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine

N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133404236) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133404236
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESC=CC(C)Nc1nc(CC)nc2sccc12
InChIInChI=1S/C12H15N3S/c1-4-8(3)13-11-9-6-7-16-12(9)15-10(5-2)14-11/h4,6-8H,1,5H2,2-3H3,(H,13,14,15)
InChIKeyDVVYNMXHXCKMED-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050114
2-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 97327991
ethyl 3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133404312
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(furan-2-yl)butan-1-ol
CID 133404351
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404655
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 133405482
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 133418146
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 133415292

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine (CID 133404236) is N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine is C=CC(C)Nc1nc(CC)nc2sccc12.
What is the InChIKey of N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DVVYNMXHXCKMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-4-8(3)13-11-9-6-7-16-12(9)15-10(5-2)14-11/h4,6-8H,1,5H2,2-3H3,(H,13,14,15).
What are the key properties of N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine?
N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 233.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133404236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).