5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine

C15H24BrN3 — CID 66305161

IUPAC5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2CCC(C)C2)nc(NCC)c1Br
InChIInChI=1S/C15H24BrN3/c1-4-6-12-13(16)15(17-5-2)19-14(18-12)11-8-7-10(3)9-11/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyDNZHGWVZCSGGEV-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.53
Rot. Bonds5

About 5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine

5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine (PubChem CID 66305161) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine
PubChem CID66305161
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2CCC(C)C2)nc(NCC)c1Br
InChIInChI=1S/C15H24BrN3/c1-4-6-12-13(16)15(17-5-2)19-14(18-12)11-8-7-10(3)9-11/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyDNZHGWVZCSGGEV-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 66300830
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219
5-bromo-N-ethyl-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66299977
5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 80610799
5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306953
4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine
CID 66295009
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
5-bromo-6-(methoxymethyl)-2-(3-methylcyclopentyl)pyrimidin-4-amine
CID 66298195
N,6-diethyl-2-(3-methylcyclopentyl)pyrimidin-4-amine
CID 65415234
5-bromo-2-(1,1-dioxothiolan-3-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 115337260
5-bromo-N,6-diethyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388607

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine (CID 66305161) is 5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine is CCCc1nc(C2CCC(C)C2)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine?
The InChIKey is DNZHGWVZCSGGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-4-6-12-13(16)15(17-5-2)19-14(18-12)11-8-7-10(3)9-11/h10-11H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine?
5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).