N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C15H19N5S — CID 35475062

IUPACN-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCCn2ccnc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H19N5S/c1-10-11(2)21-15-13(10)14(18-12(3)19-15)17-5-4-7-20-8-6-16-9-20/h6,8-9H,4-5,7H2,1-3H3,(H,17,18,19)
InChIKeyMFSQHNNDDHZGMM-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.32
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 35475062) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID35475062
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCCn2ccnc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H19N5S/c1-10-11(2)21-15-13(10)14(18-12(3)19-15)17-5-4-7-20-8-6-16-9-20/h6,8-9H,4-5,7H2,1-3H3,(H,17,18,19)
InChIKeyMFSQHNNDDHZGMM-UHFFFAOYSA-N
XLogP3.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
CID 65416898
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932
4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460088
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431937
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
2-hydrazinyl-N-(4-imidazol-1-ylbutyl)-5-methylpyrimidin-4-amine
CID 80903292
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 35475062) is N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCCCn2ccnc2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MFSQHNNDDHZGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-10-11(2)21-15-13(10)14(18-12(3)19-15)17-5-4-7-20-8-6-16-9-20/h6,8-9H,4-5,7H2,1-3H3,(H,17,18,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 35475062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).