6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine

C8H8BrN3O — CID 130605439

IUPAC6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine
SMILESC#CCONc1cc(Br)nc(C)n1
InChIInChI=1S/C8H8BrN3O/c1-3-4-13-12-8-5-7(9)10-6(2)11-8/h1,5H,4H2,2H3,(H,10,11,12)
InChIKeyBCTCMKTVPNMISV-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.52
Rot. Bonds3

About 6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine

6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine (PubChem CID 130605439) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine
PubChem CID130605439
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine
SMILESC#CCONc1cc(Br)nc(C)n1
InChIInChI=1S/C8H8BrN3O/c1-3-4-13-12-8-5-7(9)10-6(2)11-8/h1,5H,4H2,2H3,(H,10,11,12)
InChIKeyBCTCMKTVPNMISV-UHFFFAOYSA-N
XLogP1.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(prop-2-ynoxyamino)pyridine-4-carboxylic acid
CID 130658409
6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907365
2-methyl-N-prop-2-ynoxypyridin-4-amine
CID 130697695
6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine
CID 106195518
6-bromo-N-cyclopent-3-en-1-yl-2-methylpyrimidin-4-amine
CID 106196109
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352561
4-bromo-6-chloro-2-methylpyrimidine
CID 66521090
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 106014088
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098033
3-chloro-2-methyl-N-prop-2-ynoxypyridin-4-amine
CID 131025662
6-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 106196615
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine?
The IUPAC name of 6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine (CID 130605439) is 6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine is C#CCONc1cc(Br)nc(C)n1.
What is the InChIKey of 6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine?
The InChIKey is BCTCMKTVPNMISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-3-4-13-12-8-5-7(9)10-6(2)11-8/h1,5H,4H2,2H3,(H,10,11,12).
What are the key properties of 6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine?
6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine has a molecular weight of 242.08 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine is sourced from PubChem (CID 130605439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).