5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine

C11H14BrN5 — CID 133378217

IUPAC5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine
SMILESCc1cc(CC(C)Nc2ncc(Br)cn2)n[nH]1
InChIInChI=1S/C11H14BrN5/c1-7(3-10-4-8(2)16-17-10)15-11-13-5-9(12)6-14-11/h4-7H,3H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyMXKARBPAHFBFHU-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.31
Rot. Bonds4

About 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine

5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine (PubChem CID 133378217) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine
PubChem CID133378217
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine
SMILESCc1cc(CC(C)Nc2ncc(Br)cn2)n[nH]1
InChIInChI=1S/C11H14BrN5/c1-7(3-10-4-8(2)16-17-10)15-11-13-5-9(12)6-14-11/h4-7H,3H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyMXKARBPAHFBFHU-UHFFFAOYSA-N
XLogP2.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine 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

4-N,4-N,5-trimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 50951650
[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol
CID 138050417
5-ethyl-2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 95131902
5-ethyl-2-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 50970028
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133378136
4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133378151
3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine
CID 99824923
N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 136520198
(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 1419095
1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride
CID 170893704
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 70735195
4-chloro-2-methyl-5-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyridazin-3-one
CID 133378177

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine (CID 133378217) is 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine is Cc1cc(CC(C)Nc2ncc(Br)cn2)n[nH]1.
What is the InChIKey of 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine?
The InChIKey is MXKARBPAHFBFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-7(3-10-4-8(2)16-17-10)15-11-13-5-9(12)6-14-11/h4-7H,3H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine?
5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine has a molecular weight of 296.17 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 133378217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).