2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C14H15BrN4S2 — CID 62183349

IUPAC2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)Cc2cc(Br)cs2)nc2sccc12
InChIInChI=1S/C14H15BrN4S2/c1-16-13-11-3-4-20-14(11)18-12(17-13)7-19(2)6-10-5-9(15)8-21-10/h3-5,8H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyXSKLEVNEPYDOLP-UHFFFAOYSA-N
MW383.34 g/mol
LogP4.19
Rot. Bonds5

About 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62183349) has the molecular formula C14H15BrN4S2 and a molecular weight of 383.34 g/mol. Its IUPAC name is 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62183349
Molecular FormulaC14H15BrN4S2
Molecular Weight383.34 g/mol
Exact Mass381.99
IUPAC Name2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN(C)Cc2cc(Br)cs2)nc2sccc12
InChIInChI=1S/C14H15BrN4S2/c1-16-13-11-3-4-20-14(11)18-12(17-13)7-19(2)6-10-5-9(15)8-21-10/h3-5,8H,6-7H2,1-2H3,(H,16,17,18)
InChIKeyXSKLEVNEPYDOLP-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184253
2-(diethylaminomethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62178753
N-methyl-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 81074567
2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62184069
2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182196
2-[[1-cyclopropylethyl(methyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182231
N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63274778
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82953478
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208958
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62184210
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62183349) is 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(CN(C)Cc2cc(Br)cs2)nc2sccc12.
What is the InChIKey of 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XSKLEVNEPYDOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4S2/c1-16-13-11-3-4-20-14(11)18-12(17-13)7-19(2)6-10-5-9(15)8-21-10/h3-5,8H,6-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 383.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62183349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).