1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea

C12H15BrN6O — CID 138025682

IUPAC1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea
SMILESCc1cnn(C)c1NC(=O)N(C)Cc1ncc(Br)cn1
InChIInChI=1S/C12H15BrN6O/c1-8-4-16-19(3)11(8)17-12(20)18(2)7-10-14-5-9(13)6-15-10/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyYYZFRTYBCRYZJF-UHFFFAOYSA-N
MW339.20 g/mol
LogP1.94
Rot. Bonds3

About 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea

1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea (PubChem CID 138025682) has the molecular formula C12H15BrN6O and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea.

Molecular Properties

Compound Name1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea
PubChem CID138025682
Molecular FormulaC12H15BrN6O
Molecular Weight339.20 g/mol
Exact Mass338.05
IUPAC Name1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea
SMILESCc1cnn(C)c1NC(=O)N(C)Cc1ncc(Br)cn1
InChIInChI=1S/C12H15BrN6O/c1-8-4-16-19(3)11(8)17-12(20)18(2)7-10-14-5-9(13)6-15-10/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyYYZFRTYBCRYZJF-UHFFFAOYSA-N
XLogP1.94
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 650648
6-bromo-N-butyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2058779
1-[(5-Bromopyrimidin-2-yl)methyl]-3-(1-ethylpyrazol-3-yl)-1-methylurea
CID 138025705
5-Bromo-4-fluoro-2-[(4-methyl-1h-pyrazol-1-yl)methyl]pyrimidine
CID 164659973
6-(Azetidin-1-yl)-5-bromo-2-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 53468046
4-Methyl-1-[(pyrimidin-2-yl)methyl]-1H-pyrazol-3-amine
CID 64042138
(8-Methylpyrazolo[1,5-a][1,3,5]triazin-4-yl)urea
CID 89345531
N-[1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-4-methylpyrazol-5-yl]acetamide
CID 90310062
4-Methyl-1-(pyrimidin-2-ylmethyl)pyrazol-5-amine
CID 118976146
N-[4-[(5-bromopyrimidin-2-yl)amino]-1-methylpyrazol-3-yl]acetamide
CID 126505396
4-(5-Bromopyrimidin-2-yl)-2-methyl-pyrazol-3-amine
CID 137526199
N-[4-(5-bromopyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propan-2-yl-1,2-dihydropyrazin-5-amine
CID 137534662

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea?
The IUPAC name of 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea (CID 138025682) is 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea.
What is the SMILES notation for 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea?
The canonical SMILES for 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea is Cc1cnn(C)c1NC(=O)N(C)Cc1ncc(Br)cn1.
What is the InChIKey of 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea?
The InChIKey is YYZFRTYBCRYZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6O/c1-8-4-16-19(3)11(8)17-12(20)18(2)7-10-14-5-9(13)6-15-10/h4-6H,7H2,1-3H3,(H,17,20).
What are the key properties of 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea?
1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea has a molecular weight of 339.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromopyrimidin-2-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-1-methylurea is sourced from PubChem (CID 138025682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).