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

C14H14BrFN4 — CID 115145181

IUPAC2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(c1ccccc1F)c1nc(Br)nc2c1CNCC2
InChIInChI=1S/C14H14BrFN4/c1-20(12-5-3-2-4-10(12)16)13-9-8-17-7-6-11(9)18-14(15)19-13/h2-5,17H,6-8H2,1H3
InChIKeyKOHULWOOHMCKPE-UHFFFAOYSA-N
MW337.20 g/mol
LogP2.79
Rot. Bonds2

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

2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115145181) has the molecular formula C14H14BrFN4 and a molecular weight of 337.20 g/mol. Its IUPAC name is 2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115145181
Molecular FormulaC14H14BrFN4
Molecular Weight337.20 g/mol
Exact Mass336.04
IUPAC Name2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(c1ccccc1F)c1nc(Br)nc2c1CNCC2
InChIInChI=1S/C14H14BrFN4/c1-20(12-5-3-2-4-10(12)16)13-9-8-17-7-6-11(9)18-14(15)19-13/h2-5,17H,6-8H2,1H3
InChIKeyKOHULWOOHMCKPE-UHFFFAOYSA-N
XLogP2.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145210
N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223554
2-bromo-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145188
4-(2-bromo-N-methylanilino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-one
CID 115144916
4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145043
N,2-dimethyl-N-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145265
2-chloro-N-methyl-N-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144732
N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145270
N-(2-fluorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101099
3-bromo-N-(2-fluorophenyl)-N,5-dimethylpyridin-2-amine
CID 105367875
3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82289154
N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145249

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115145181) is 2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CN(c1ccccc1F)c1nc(Br)nc2c1CNCC2.
What is the InChIKey of 2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is KOHULWOOHMCKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4/c1-20(12-5-3-2-4-10(12)16)13-9-8-17-7-6-11(9)18-14(15)19-13/h2-5,17H,6-8H2,1H3.
What are the key properties of 2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-bromo-N-(2-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 337.20 g/mol, XLogP of 2.79, 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-fluorophenyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115145181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).