N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C13H15BrN4S — CID 115145270

IUPACN-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(C)c3cc(Br)cs3)n1)CNCC2
InChIInChI=1S/C13H15BrN4S/c1-8-16-11-3-4-15-6-10(11)13(17-8)18(2)12-5-9(14)7-19-12/h5,7,15H,3-4,6H2,1-2H3
InChIKeyFAYCESYWGIGNBE-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.02
Rot. Bonds2

About N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115145270) has the molecular formula C13H15BrN4S and a molecular weight of 339.26 g/mol. Its IUPAC name is N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115145270
Molecular FormulaC13H15BrN4S
Molecular Weight339.26 g/mol
Exact Mass338.02
IUPAC NameN-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1nc2c(c(N(C)c3cc(Br)cs3)n1)CNCC2
InChIInChI=1S/C13H15BrN4S/c1-8-16-11-3-4-15-6-10(11)13(17-8)18(2)12-5-9(14)7-19-12/h5,7,15H,3-4,6H2,1-2H3
InChIKeyFAYCESYWGIGNBE-UHFFFAOYSA-N
XLogP3.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145265
2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737697
N,2-dimethyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145261
N-cyclohexyl-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145279
N,2-dimethyl-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145301
N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145249
2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145181
4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145043
N-(4-methoxycyclohexa-1,5-dien-1-yl)-N,2-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 91330359
N-[(4-bromophenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145286
2-chloro-N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144732
2-methyl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83847207

Frequently Asked Questions

What is the IUPAC name of N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115145270) is N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Cc1nc2c(c(N(C)c3cc(Br)cs3)n1)CNCC2.
What is the InChIKey of N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FAYCESYWGIGNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4S/c1-8-16-11-3-4-15-6-10(11)13(17-8)18(2)12-5-9(14)7-19-12/h5,7,15H,3-4,6H2,1-2H3.
What are the key properties of N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 339.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115145270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).