N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine

C14H18BrN3S — CID 102871211

IUPACN-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(N(CCCBr)C3CCC3)ncnc12
InChIInChI=1S/C14H18BrN3S/c1-10-8-19-13-12(10)16-9-17-14(13)18(7-3-6-15)11-4-2-5-11/h8-9,11H,2-7H2,1H3
InChIKeyGNNWRIUGGKTDEV-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.14
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine

N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102871211) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102871211
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(N(CCCBr)C3CCC3)ncnc12
InChIInChI=1S/C14H18BrN3S/c1-10-8-19-13-12(10)16-9-17-14(13)18(7-3-6-15)11-4-2-5-11/h8-9,11H,2-7H2,1H3
InChIKeyGNNWRIUGGKTDEV-UHFFFAOYSA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 102687124
1-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazine
CID 146460535
N-(3-bromopropyl)-N-cyclobutyl-5-iodopyrimidin-4-amine
CID 102871338
7-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 106619830
N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 102687245
7-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686927
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718970
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992
N-(2,3-dimethylcyclohexyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686234
methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 102687114
N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 80668669
4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 102687057

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102871211) is N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(N(CCCBr)C3CCC3)ncnc12.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GNNWRIUGGKTDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-10-8-19-13-12(10)16-9-17-14(13)18(7-3-6-15)11-4-2-5-11/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 340.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102871211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).