N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C12H13N5S — CID 62208153

IUPACN-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cn2ccnc2)nc2sccc12
InChIInChI=1S/C12H13N5S/c1-2-14-11-9-3-6-18-12(9)16-10(15-11)7-17-5-4-13-8-17/h3-6,8H,2,7H2,1H3,(H,14,15,16)
InChIKeyLHLCGWXUVNWEAT-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.37
Rot. Bonds4

About N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62208153) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62208153
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC NameN-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(Cn2ccnc2)nc2sccc12
InChIInChI=1S/C12H13N5S/c1-2-14-11-9-3-6-18-12(9)16-10(15-11)7-17-5-4-13-8-17/h3-6,8H,2,7H2,1H3,(H,14,15,16)
InChIKeyLHLCGWXUVNWEAT-UHFFFAOYSA-N
XLogP2.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244451
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62193818
2-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridazin-3-one
CID 62848745
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
N-ethyl-6-(imidazol-1-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220953
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one
CID 62881532
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-6-methylpyridin-2-one
CID 62193274

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62208153) is N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(Cn2ccnc2)nc2sccc12.
What is the InChIKey of N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LHLCGWXUVNWEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-2-14-11-9-3-6-18-12(9)16-10(15-11)7-17-5-4-13-8-17/h3-6,8H,2,7H2,1H3,(H,14,15,16).
What are the key properties of N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62208153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).