5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine

C9H14BrN3 — CID 130483355

IUPAC5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine
SMILESCNc1ncc(CBr)c(C(C)C)n1
InChIInChI=1S/C9H14BrN3/c1-6(2)8-7(4-10)5-12-9(11-3)13-8/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyQNZCVBKYEIAAFQ-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.54
Rot. Bonds3

About 5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine

5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine (PubChem CID 130483355) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine
PubChem CID130483355
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine
SMILESCNc1ncc(CBr)c(C(C)C)n1
InChIInChI=1S/C9H14BrN3/c1-6(2)8-7(4-10)5-12-9(11-3)13-8/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyQNZCVBKYEIAAFQ-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine
CID 130483336
[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
CID 126974118
5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine
CID 114205767
5-(bromomethyl)-2-(1-methoxycyclohexyl)-4-propan-2-ylpyrimidine
CID 114205748
4-butan-2-yl-N-methyl-5-[(Z)-4-methylpent-2-en-3-yl]pyrimidin-2-amine;2-methylpropane
CID 163389278
5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-propan-2-ylpyrimidine
CID 114205763
N-(5-butyl-4-propan-2-ylpyrimidin-2-yl)ethanesulfonamide
CID 126704001
4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid
CID 62892836
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
5-(aminomethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82502995
[2,4-di(propan-2-yl)pyrimidin-5-yl]methanamine
CID 82505175
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine (CID 130483355) is 5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine is CNc1ncc(CBr)c(C(C)C)n1.
What is the InChIKey of 5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine?
The InChIKey is QNZCVBKYEIAAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-6(2)8-7(4-10)5-12-9(11-3)13-8/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine?
5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine has a molecular weight of 244.14 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-4-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 130483355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).