2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine

C19H22N4S — CID 166120000

IUPAC2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCCc3ccccc3)nc(C3(N)CC3)nc2s1
InChIInChI=1S/C19H22N4S/c1-13-12-15-16(21-11-5-8-14-6-3-2-4-7-14)22-18(19(20)9-10-19)23-17(15)24-13/h2-4,6-7,12H,5,8-11,20H2,1H3,(H,21,22,23)
InChIKeyGDYYRLVQSFFMLJ-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.99
Rot. Bonds6

About 2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine

2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 166120000) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID166120000
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCCc3ccccc3)nc(C3(N)CC3)nc2s1
InChIInChI=1S/C19H22N4S/c1-13-12-15-16(21-11-5-8-14-6-3-2-4-7-14)22-18(19(20)9-10-19)23-17(15)24-13/h2-4,6-7,12H,5,8-11,20H2,1H3,(H,21,22,23)
InChIKeyGDYYRLVQSFFMLJ-UHFFFAOYSA-N
XLogP3.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 166120000) is 2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCCc3ccccc3)nc(C3(N)CC3)nc2s1.
What is the InChIKey of 2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GDYYRLVQSFFMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-13-12-15-16(21-11-5-8-14-6-3-2-4-7-14)22-18(19(20)9-10-19)23-17(15)24-13/h2-4,6-7,12H,5,8-11,20H2,1H3,(H,21,22,23).
What are the key properties of 2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 338.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-6-methyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166120000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).