2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C13H21BrN4 — CID 115145210

IUPAC2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(CC(C)(C)C)c1nc(Br)nc2c1CNCC2
InChIInChI=1S/C13H21BrN4/c1-13(2,3)8-18(4)11-9-7-15-6-5-10(9)16-12(14)17-11/h15H,5-8H2,1-4H3
InChIKeyFFRHSGLZOWMJAB-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.37
Rot. Bonds2

About 2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115145210) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115145210
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(CC(C)(C)C)c1nc(Br)nc2c1CNCC2
InChIInChI=1S/C13H21BrN4/c1-13(2,3)8-18(4)11-9-7-15-6-5-10(9)16-12(14)17-11/h15H,5-8H2,1-4H3
InChIKeyFFRHSGLZOWMJAB-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145217
2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145188
2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145181
N,2-dimethyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145261
4-N-tert-butyl-4-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145035
N,2-dimethyl-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145301
4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145070
4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid
CID 115145149
N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145270
N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 81223557
N,N-diethyl-2-methylsulfanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102022
N-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223373

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115145210) is 2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CN(CC(C)(C)C)c1nc(Br)nc2c1CNCC2.
What is the InChIKey of 2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FFRHSGLZOWMJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-13(2,3)8-18(4)11-9-7-15-6-5-10(9)16-12(14)17-11/h15H,5-8H2,1-4H3.
What are the key properties of 2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 313.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115145210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).