N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine

C15H22N4S — CID 102687184

IUPACN-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1c1ncnc2c(C)csc12
InChIInChI=1S/C15H22N4S/c1-3-6-16-8-12-5-4-7-19(12)15-14-13(17-10-18-15)11(2)9-20-14/h9-10,12,16H,3-8H2,1-2H3
InChIKeyRGKAUHAAKHXWIO-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.97
Rot. Bonds5

About N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine

N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 102687184) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID102687184
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1c1ncnc2c(C)csc12
InChIInChI=1S/C15H22N4S/c1-3-6-16-8-12-5-4-7-19(12)15-14-13(17-10-18-15)11(2)9-20-14/h9-10,12,16H,3-8H2,1-2H3
InChIKeyRGKAUHAAKHXWIO-UHFFFAOYSA-N
XLogP2.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
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 N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine (CID 102687184) is N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1c1ncnc2c(C)csc12.
What is the InChIKey of N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is RGKAUHAAKHXWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-6-16-8-12-5-4-7-19(12)15-14-13(17-10-18-15)11(2)9-20-14/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 290.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 102687184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).