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

C20H19N5S — CID 166119848

IUPAC6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCCc3ccccc3)nc(-c3ccncn3)nc2s1
InChIInChI=1S/C20H19N5S/c1-14-12-16-18(22-10-5-8-15-6-3-2-4-7-15)24-19(25-20(16)26-14)17-9-11-21-13-23-17/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,22,24,25)
InChIKeyBKXYBLBXXNABOG-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.50
Rot. Bonds6

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

6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166119848) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166119848
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCCc3ccccc3)nc(-c3ccncn3)nc2s1
InChIInChI=1S/C20H19N5S/c1-14-12-16-18(22-10-5-8-15-6-3-2-4-7-15)24-19(25-20(16)26-14)17-9-11-21-13-23-17/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,22,24,25)
InChIKeyBKXYBLBXXNABOG-UHFFFAOYSA-N
XLogP4.50
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.50
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-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine (CID 166119848) is 6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCCc3ccccc3)nc(-c3ccncn3)nc2s1.
What is the InChIKey of 6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BKXYBLBXXNABOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-14-12-16-18(22-10-5-8-15-6-3-2-4-7-15)24-19(25-20(16)26-14)17-9-11-21-13-23-17/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,22,24,25).
What are the key properties of 6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 361.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166119848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).