5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine

C11H14BrN5O — CID 103726633

IUPAC5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCOc1nc(N(C)Cc2cnn(C)c2)ncc1Br
InChIInChI=1S/C11H14BrN5O/c1-16(6-8-4-14-17(2)7-8)11-13-5-9(12)10(15-11)18-3/h4-5,7H,6H2,1-3H3
InChIKeyJAGAUFLYNKISEX-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.62
Rot. Bonds4

About 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine

5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 103726633) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID103726633
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCOc1nc(N(C)Cc2cnn(C)c2)ncc1Br
InChIInChI=1S/C11H14BrN5O/c1-16(6-8-4-14-17(2)7-8)11-13-5-9(12)10(15-11)18-3/h4-5,7H,6H2,1-3H3
InChIKeyJAGAUFLYNKISEX-UHFFFAOYSA-N
XLogP1.62
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-aminophenyl)methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106998375
4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 138042899
6-methoxy-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 75510113
5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 103745889
5-bromo-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 106998130
3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 79532541
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550273
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133488581
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999859
3-(aminomethyl)-5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 102813654
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 154749946

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine (CID 103726633) is 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine is COc1nc(N(C)Cc2cnn(C)c2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is JAGAUFLYNKISEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-16(6-8-4-14-17(2)7-8)11-13-5-9(12)10(15-11)18-3/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 312.17 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 103726633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).