5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine

C15H24BrN3 — CID 107084638

IUPAC5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCC(C)CCN(c1ncc(CBr)cn1)C1CCCC1
InChIInChI=1S/C15H24BrN3/c1-12(2)7-8-19(14-5-3-4-6-14)15-17-10-13(9-16)11-18-15/h10-12,14H,3-9H2,1-2H3
InChIKeyDPXSUGXHEFLHDG-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.17
Rot. Bonds6

About 5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine

5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 107084638) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine
PubChem CID107084638
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCC(C)CCN(c1ncc(CBr)cn1)C1CCCC1
InChIInChI=1S/C15H24BrN3/c1-12(2)7-8-19(14-5-3-4-6-14)15-17-10-13(9-16)11-18-15/h10-12,14H,3-9H2,1-2H3
InChIKeyDPXSUGXHEFLHDG-UHFFFAOYSA-N
XLogP4.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-cyclopentyl-4-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 106999006
5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107081592
5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 83189626
N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine
CID 80669094
2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde
CID 113387676
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107082231
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
CID 102986844
2-(bromomethyl)-N-cyclopentyl-4-fluoro-N-(3-methylbutyl)aniline
CID 107084629
5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535325
5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535326
(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol
CID 103938891

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine (CID 107084638) is 5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine is CC(C)CCN(c1ncc(CBr)cn1)C1CCCC1.
What is the InChIKey of 5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is DPXSUGXHEFLHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12(2)7-8-19(14-5-3-4-6-14)15-17-10-13(9-16)11-18-15/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine?
5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 326.28 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 107084638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).