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

C14H14BrFN4 — CID 115145249

IUPACN-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1nc2c(c(Nc3cc(Br)ccc3F)n1)CNCC2
InChIInChI=1S/C14H14BrFN4/c1-8-18-12-4-5-17-7-10(12)14(19-8)20-13-6-9(15)2-3-11(13)16/h2-3,6,17H,4-5,7H2,1H3,(H,18,19,20)
InChIKeyNFLUTNSDGUHGPG-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.08
Rot. Bonds2

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

N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115145249) has the molecular formula C14H14BrFN4 and a molecular weight of 337.20 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115145249
Molecular FormulaC14H14BrFN4
Molecular Weight337.20 g/mol
Exact Mass336.04
IUPAC NameN-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCc1nc2c(c(Nc3cc(Br)ccc3F)n1)CNCC2
InChIInChI=1S/C14H14BrFN4/c1-8-18-12-4-5-17-7-10(12)14(19-8)20-13-6-9(15)2-3-11(13)16/h2-3,6,17H,4-5,7H2,1H3,(H,18,19,20)
InChIKeyNFLUTNSDGUHGPG-UHFFFAOYSA-N
XLogP3.08
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145286
2-(5-chloro-2-fluorophenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 142948403
2-methyl-N-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145244
N-[(2-bromophenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145298
N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
N-cyclopentyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105491814
2-methyl-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145292
N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145270
4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117102157
N-(5-bromo-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80994887
4-N-(5-bromo-2-fluorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80986442
N-(cyclobutylmethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145300

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115145249) is N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is Cc1nc2c(c(Nc3cc(Br)ccc3F)n1)CNCC2.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is NFLUTNSDGUHGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4/c1-8-18-12-4-5-17-7-10(12)14(19-8)20-13-6-9(15)2-3-11(13)16/h2-3,6,17H,4-5,7H2,1H3,(H,18,19,20).
What are the key properties of N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 337.20 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115145249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).