1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine

C17H19BrN6 — CID 75041890

IUPAC1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine
SMILESCc1cc(N2CC=CCC2)nc(N=C(N)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C17H19BrN6/c1-12-11-15(24-9-3-2-4-10-24)22-17(20-12)23-16(19)21-14-7-5-13(18)6-8-14/h2-3,5-8,11H,4,9-10H2,1H3,(H3,19,20,21,22,23)
InChIKeyTUCZEYWZTTVDGS-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.37
Rot. Bonds3

About 1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine

1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine (PubChem CID 75041890) has the molecular formula C17H19BrN6 and a molecular weight of 387.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine
PubChem CID75041890
Molecular FormulaC17H19BrN6
Molecular Weight387.29 g/mol
Exact Mass386.09
IUPAC Name1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine
SMILESCc1cc(N2CC=CCC2)nc(N=C(N)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C17H19BrN6/c1-12-11-15(24-9-3-2-4-10-24)22-17(20-12)23-16(19)21-14-7-5-13(18)6-8-14/h2-3,5-8,11H,4,9-10H2,1H3,(H3,19,20,21,22,23)
InChIKeyTUCZEYWZTTVDGS-UHFFFAOYSA-N
XLogP3.37
TPSA79.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
CID 2864540
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine
CID 2873992
N-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]propanamide
CID 3363508
4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine
CID 171327993
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638819
2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 114410077
1-(3-tert-butylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638812
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-pentylphenyl)guanidine
CID 58638776
1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 11545176
1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 58638806
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine
CID 2886994
1-(3,4-dichlorophenyl)-2-[4-[[(3R)-1-ethylpiperidin-3-yl]amino]-6-methylpyrimidin-2-yl]guanidine
CID 122461503

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine?
The IUPAC name of 1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine (CID 75041890) is 1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine.
What is the SMILES notation for 1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine?
The canonical SMILES for 1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine is Cc1cc(N2CC=CCC2)nc(N=C(N)Nc2ccc(Br)cc2)n1.
What is the InChIKey of 1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine?
The InChIKey is TUCZEYWZTTVDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6/c1-12-11-15(24-9-3-2-4-10-24)22-17(20-12)23-16(19)21-14-7-5-13(18)6-8-14/h2-3,5-8,11H,4,9-10H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine?
1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine has a molecular weight of 387.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine is sourced from PubChem (CID 75041890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).