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

C16H26BrN3 — CID 66300830

IUPAC5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCC(C)CC2)nc(CC)c1Br
InChIInChI=1S/C16H26BrN3/c1-4-10-18-16-14(17)13(5-2)19-15(20-16)12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyVVDMGBCQGOFRSA-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.92
Rot. Bonds5

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

5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine (PubChem CID 66300830) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
PubChem CID66300830
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCC(C)CC2)nc(CC)c1Br
InChIInChI=1S/C16H26BrN3/c1-4-10-18-16-14(17)13(5-2)19-15(20-16)12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyVVDMGBCQGOFRSA-UHFFFAOYSA-N
XLogP4.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
CID 66301225
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922
5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine
CID 66305161
2-cyclobutyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299102
5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
CID 79961331
5-bromo-6-cyclopropyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66304188
5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
2-(4-methylcyclohexyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191205
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
5-bromo-6-ethyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66299847
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine (CID 66300830) is 5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine is CCCNc1nc(C2CCC(C)CC2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine?
The InChIKey is VVDMGBCQGOFRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-4-10-18-16-14(17)13(5-2)19-15(20-16)12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine?
5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine has a molecular weight of 340.31 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66300830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).