5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine

C9H10BrN5O — CID 126505481

IUPAC5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCOc1nn(C)cc1Nc1ncc(Br)cn1
InChIInChI=1S/C9H10BrN5O/c1-15-5-7(8(14-15)16-2)13-9-11-3-6(10)4-12-9/h3-5H,1-2H3,(H,11,12,13)
InChIKeyURWYIXZONFEGMX-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.72
Rot. Bonds3

About 5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine

5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 126505481) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID126505481
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCOc1nn(C)cc1Nc1ncc(Br)cn1
InChIInChI=1S/C9H10BrN5O/c1-15-5-7(8(14-15)16-2)13-9-11-3-6(10)4-12-9/h3-5H,1-2H3,(H,11,12,13)
InChIKeyURWYIXZONFEGMX-UHFFFAOYSA-N
XLogP1.72
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 126505088
N-(1,3-dimethylpyrazol-4-yl)-5-methoxypyrimidin-2-amine
CID 102806174
2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one
CID 146497745
4-chloro-N-(3-methoxy-1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 141412017
3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine
CID 167088857
(2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide
CID 129452314
5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine
CID 175789064
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126967836
5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine
CID 133435049
N-(3-ethoxy-1-methylpyrazol-4-yl)-3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-pyrrolo[3,2-b]pyridin-7-amine
CID 146497680
5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998767
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine
CID 104844292

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 126505481) is 5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine is COc1nn(C)cc1Nc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is URWYIXZONFEGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c1-15-5-7(8(14-15)16-2)13-9-11-3-6(10)4-12-9/h3-5H,1-2H3,(H,11,12,13).
What are the key properties of 5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine?
5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 284.12 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 126505481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).