6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

C18H19N5S — CID 133407693

IUPAC6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCCn3c(C)nc4ccccc43)ncnc2s1
InChIInChI=1S/C18H19N5S/c1-12-10-14-17(20-11-21-18(14)24-12)19-8-5-9-23-13(2)22-15-6-3-4-7-16(15)23/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyLSNOYFSGPGOTFQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.16
Rot. Bonds5

About 6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133407693) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133407693
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCCn3c(C)nc4ccccc43)ncnc2s1
InChIInChI=1S/C18H19N5S/c1-12-10-14-17(20-11-21-18(14)24-12)19-8-5-9-23-13(2)22-15-6-3-4-7-16(15)23/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyLSNOYFSGPGOTFQ-UHFFFAOYSA-N
XLogP4.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (CID 133407693) is 6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCCn3c(C)nc4ccccc43)ncnc2s1.
What is the InChIKey of 6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LSNOYFSGPGOTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-12-10-14-17(20-11-21-18(14)24-12)19-8-5-9-23-13(2)22-15-6-3-4-7-16(15)23/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of 6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 337.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133407693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).