N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C10H12BrN3 — CID 131012420

IUPACN-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESBrc1ccc(NC2=NCCCN2)cc1
InChIInChI=1S/C10H12BrN3/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h2-5H,1,6-7H2,(H2,12,13,14)
InChIKeyMQIYNRKLGABABX-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.21
Rot. Bonds1

About N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 131012420) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID131012420
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC NameN-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESBrc1ccc(NC2=NCCCN2)cc1
InChIInChI=1S/C10H12BrN3/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h2-5H,1,6-7H2,(H2,12,13,14)
InChIKeyMQIYNRKLGABABX-UHFFFAOYSA-N
XLogP2.21
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 14063729
N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120671107
N-(4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52949076
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918030
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879
N-(3-bromo-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400222
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 22245999
N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine
CID 11347682
2-[(4-bromophenyl)methyl]-1,4,5,6-tetrahydropyrimidine
CID 126982340
N-[4-[2-(4-aminophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44550829
3-hydroxy-5-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid
CID 21306719

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 131012420) is N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is Brc1ccc(NC2=NCCCN2)cc1.
What is the InChIKey of N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is MQIYNRKLGABABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h2-5H,1,6-7H2,(H2,12,13,14).
What are the key properties of N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 254.13 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 131012420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).